methyl-[(2S)-1-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]piperazin-1-yl]butan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid

C25H37N5O5 — CID 67103125

IUPACmethyl-[(2S)-1-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]piperazin-1-yl]butan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid
SMILESCC(C)[C@H](NC(=O)[C@H](C)N(C)C(=O)O)C(=O)N1CCNC[C@H]1C(=O)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C25H37N5O5/c1-15(2)21(28-22(31)16(3)29(4)25(34)35)24(33)30-13-12-26-14-20(30)23(32)27-19-11-7-9-17-8-5-6-10-18(17)19/h5-6,8,10,15-16,19-21,26H,7,9,11-14H2,1-4H3,(H,27,32)(H,28,31)(H,34,35)/t16-,19+,20-,21-/m0/s1
InChIKeyHJUNQPYTGQUIII-CZGNIMDHSA-N
MW487.60 g/mol
LogP1.12
Rot. Bonds7

About methyl-[(2S)-1-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]piperazin-1-yl]butan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid

methyl-[(2S)-1-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]piperazin-1-yl]butan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid (PubChem CID 67103125) has the molecular formula C25H37N5O5 and a molecular weight of 487.60 g/mol. Its IUPAC name is methyl-[(2S)-1-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]piperazin-1-yl]butan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid.

Molecular Properties

Compound Namemethyl-[(2S)-1-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]piperazin-1-yl]butan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid
PubChem CID67103125
Molecular FormulaC25H37N5O5
Molecular Weight487.60 g/mol
Exact Mass487.28
IUPAC Namemethyl-[(2S)-1-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]piperazin-1-yl]butan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid
SMILESCC(C)[C@H](NC(=O)[C@H](C)N(C)C(=O)O)C(=O)N1CCNC[C@H]1C(=O)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C25H37N5O5/c1-15(2)21(28-22(31)16(3)29(4)25(34)35)24(33)30-13-12-26-14-20(30)23(32)27-19-11-7-9-17-8-5-6-10-18(17)19/h5-6,8,10,15-16,19-21,26H,7,9,11-14H2,1-4H3,(H,27,32)(H,28,31)(H,34,35)/t16-,19+,20-,21-/m0/s1
InChIKeyHJUNQPYTGQUIII-CZGNIMDHSA-N
XLogP1.12
TPSA131.08 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 51.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze methyl-[(2S)-1-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]piperazin-1-yl]butan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-[(2S)-3-methyl-2-(2-methylpropanoylamino)butanoyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2-carboxamide
CID 173139030
tert-butyl N-[(2S)-1-[[(2S)-3,3-dimethyl-1-oxo-1-[(2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]piperazin-1-yl]butan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate
CID 59440303
methyl-[1-[[3-methyl-1-oxo-1-[2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid
CID 123581204
methyl-[1-[[3-methyl-1-[2-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid
CID 123650822
[(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]piperazin-2-yl] N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamate
CID 68805842
[(2S)-1-[[(1S)-2-[(2S,4S)-4-amino-2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]amino]-1-oxopropan-2-yl]-methylcarbamic acid
CID 122641788
[1-[[1-[6-amino-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-methylcarbamic acid
CID 90083345
tert-butyl N-methyl-N-[(2S)-1-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]butan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 59415495
(4S)-3-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-oxazolidine-4-carboxamide
CID 11502879
(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-4-(2-methylpropyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2-carboxamide
CID 70975380
(4-fluorophenyl) (3S)-4-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)piperazine-1-carboxylate
CID 68798631
9H-fluoren-9-ylmethyl N-methyl-N-[1-oxo-1-[[(1S)-2-oxo-1-piperidin-4-yl-2-[2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]ethyl]amino]propan-2-yl]carbamate;hydrochloride
CID 134496565

Frequently Asked Questions

What is the IUPAC name of methyl-[(2S)-1-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]piperazin-1-yl]butan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid?
The IUPAC name of methyl-[(2S)-1-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]piperazin-1-yl]butan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid (CID 67103125) is methyl-[(2S)-1-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]piperazin-1-yl]butan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid.
What is the SMILES notation for methyl-[(2S)-1-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]piperazin-1-yl]butan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid?
The canonical SMILES for methyl-[(2S)-1-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]piperazin-1-yl]butan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid is CC(C)[C@H](NC(=O)[C@H](C)N(C)C(=O)O)C(=O)N1CCNC[C@H]1C(=O)N[C@@H]1CCCc2ccccc21.
What is the InChIKey of methyl-[(2S)-1-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]piperazin-1-yl]butan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid?
The InChIKey is HJUNQPYTGQUIII-CZGNIMDHSA-N. The full InChI is InChI=1S/C25H37N5O5/c1-15(2)21(28-22(31)16(3)29(4)25(34)35)24(33)30-13-12-26-14-20(30)23(32)27-19-11-7-9-17-8-5-6-10-18(17)19/h5-6,8,10,15-16,19-21,26H,7,9,11-14H2,1-4H3,(H,27,32)(H,28,31)(H,34,35)/t16-,19+,20-,21-/m0/s1.
What are the key properties of methyl-[(2S)-1-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]piperazin-1-yl]butan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid?
methyl-[(2S)-1-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]piperazin-1-yl]butan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid has a molecular weight of 487.60 g/mol, XLogP of 1.12, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(2S)-1-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]piperazin-1-yl]butan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid is sourced from PubChem (CID 67103125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).