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

C26H38N4O5 — CID 123650822

IUPACmethyl-[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
SMILESCC(C)C(NC(=O)C(C)N(C)C(=O)O)C(=O)N1CCCC1(C)C(=O)NC1CCCc2ccccc21
InChIInChI=1S/C26H38N4O5/c1-16(2)21(28-22(31)17(3)29(5)25(34)35)23(32)30-15-9-14-26(30,4)24(33)27-20-13-8-11-18-10-6-7-12-19(18)20/h6-7,10,12,16-17,20-21H,8-9,11,13-15H2,1-5H3,(H,27,33)(H,28,31)(H,34,35)
InChIKeyVTNUEXDSYGPQFA-UHFFFAOYSA-N
MW486.61 g/mol
LogP2.70
Rot. Bonds7

About 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

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 (PubChem CID 123650822) has the molecular formula C26H38N4O5 and a molecular weight of 486.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namemethyl-[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
PubChem CID123650822
Molecular FormulaC26H38N4O5
Molecular Weight486.61 g/mol
Exact Mass486.28
IUPAC Namemethyl-[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
SMILESCC(C)C(NC(=O)C(C)N(C)C(=O)O)C(=O)N1CCCC1(C)C(=O)NC1CCCc2ccccc21
InChIInChI=1S/C26H38N4O5/c1-16(2)21(28-22(31)17(3)29(5)25(34)35)23(32)30-15-9-14-26(30,4)24(33)27-20-13-8-11-18-10-6-7-12-19(18)20/h6-7,10,12,16-17,20-21H,8-9,11,13-15H2,1-5H3,(H,27,33)(H,28,31)(H,34,35)
InChIKeyVTNUEXDSYGPQFA-UHFFFAOYSA-N
XLogP2.70
TPSA119.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.61
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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-[(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
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
[(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
1-acetyl-4-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 39897380
(2S)-2-[methyl-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]amino]-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide
CID 163484886
tert-butyl N-methyl-N-[1-[[3-methyl-1-[methyl-[1-oxo-3-phenylmethoxy-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 68766216
(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-[[3,3-dimethyl-1-oxo-1-[(2S,5S)-2-phenyl-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate
CID 59415568
(2S)-N,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]-N-[(2S)-1-oxo-3-phenylmethoxy-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl]butanamide
CID 59415532
[(2S)-1-[[(6S,11bR)-9,10-dihydroxy-2,2-dimethyl-5-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-3,6,7,11b-tetrahydro-1H-pyrrolo[2,1-a][2]benzazepin-6-yl]amino]-1-oxopropan-2-yl]-methylcarbamic acid
CID 118467893

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)C(NC(=O)C(C)N(C)C(=O)O)C(=O)N1CCCC1(C)C(=O)NC1CCCc2ccccc21.
What is the InChIKey of 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?
The InChIKey is VTNUEXDSYGPQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O5/c1-16(2)21(28-22(31)17(3)29(5)25(34)35)23(32)30-15-9-14-26(30,4)24(33)27-20-13-8-11-18-10-6-7-12-19(18)20/h6-7,10,12,16-17,20-21H,8-9,11,13-15H2,1-5H3,(H,27,33)(H,28,31)(H,34,35).
What are the key properties of 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?
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 has a molecular weight of 486.61 g/mol, XLogP of 2.70, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123650822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).