[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4,6,6-tetramethyl-1-oxoheptan-2-yl] carbamate

C20H36N4O5 — CID 162478928

IUPAC[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4,6,6-tetramethyl-1-oxoheptan-2-yl] carbamate
SMILESCC(C)(C)CC(C)(C)C[C@H](OC(N)=O)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(N)=O
InChIInChI=1S/C20H36N4O5/c1-19(2,3)11-20(4,5)10-14(29-18(22)28)17(27)24-13(15(21)25)9-12-7-6-8-23-16(12)26/h12-14H,6-11H2,1-5H3,(H2,21,25)(H2,22,28)(H,23,26)(H,24,27)/t12-,13-,14-/m0/s1
InChIKeyCDHCWFSLHQTBFL-IHRRRGAJSA-N
MW412.53 g/mol
LogP1.19
Rot. Bonds9

About [(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4,6,6-tetramethyl-1-oxoheptan-2-yl] carbamate

[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4,6,6-tetramethyl-1-oxoheptan-2-yl] carbamate (PubChem CID 162478928) has the molecular formula C20H36N4O5 and a molecular weight of 412.53 g/mol. Its IUPAC name is [(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4,6,6-tetramethyl-1-oxoheptan-2-yl] carbamate.

Molecular Properties

Compound Name[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4,6,6-tetramethyl-1-oxoheptan-2-yl] carbamate
PubChem CID162478928
Molecular FormulaC20H36N4O5
Molecular Weight412.53 g/mol
Exact Mass412.27
IUPAC Name[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4,6,6-tetramethyl-1-oxoheptan-2-yl] carbamate
SMILESCC(C)(C)CC(C)(C)C[C@H](OC(N)=O)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(N)=O
InChIInChI=1S/C20H36N4O5/c1-19(2,3)11-20(4,5)10-14(29-18(22)28)17(27)24-13(15(21)25)9-12-7-6-8-23-16(12)26/h12-14H,6-11H2,1-5H3,(H2,21,25)(H2,22,28)(H,23,26)(H,24,27)/t12-,13-,14-/m0/s1
InChIKeyCDHCWFSLHQTBFL-IHRRRGAJSA-N
XLogP1.19
TPSA153.61 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 51.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze [(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4,6,6-tetramethyl-1-oxoheptan-2-yl] carbamate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[1-amino-1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]carbamate
CID 167238360
(2S)-2-[[(2S)-2-amino-4,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoic acid
CID 166744926
2-[(2-amino-4,4-dimethylpentanoyl)amino]-3-(2-oxopiperidin-3-yl)propanoic acid
CID 175458213
(2S)-2-[[2-amino-3-(2,2-dimethylcyclopropyl)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanamide
CID 166893555
(2S)-2-[[2-hydrazinyl-3-(1-methylcyclopropyl)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanamide
CID 170017491
(3S)-2-(2,2-dimethylpropyl)-3-[[(3S)-2-oxopiperidin-3-yl]methyl]butanediamide
CID 162479477
[3-oxo-1-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethoxy)butan-2-yl] carbamate
CID 175537571
[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethoxy)butan-2-yl] carbamate
CID 175537570
[3-oxo-1-(2-oxopiperidin-3-yl)-4-(trifluoromethoxy)butan-2-yl] carbamate
CID 175537573
N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-5-chloro-4-methoxy-1H-indole-2-carboxamide
CID 162478855
N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-7-chloro-4-methoxy-1H-indole-2-carboxamide
CID 162478974
(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide
CID 166840656

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4,6,6-tetramethyl-1-oxoheptan-2-yl] carbamate?
The IUPAC name of [(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4,6,6-tetramethyl-1-oxoheptan-2-yl] carbamate (CID 162478928) is [(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4,6,6-tetramethyl-1-oxoheptan-2-yl] carbamate.
What is the SMILES notation for [(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4,6,6-tetramethyl-1-oxoheptan-2-yl] carbamate?
The canonical SMILES for [(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4,6,6-tetramethyl-1-oxoheptan-2-yl] carbamate is CC(C)(C)CC(C)(C)C[C@H](OC(N)=O)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(N)=O.
What is the InChIKey of [(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4,6,6-tetramethyl-1-oxoheptan-2-yl] carbamate?
The InChIKey is CDHCWFSLHQTBFL-IHRRRGAJSA-N. The full InChI is InChI=1S/C20H36N4O5/c1-19(2,3)11-20(4,5)10-14(29-18(22)28)17(27)24-13(15(21)25)9-12-7-6-8-23-16(12)26/h12-14H,6-11H2,1-5H3,(H2,21,25)(H2,22,28)(H,23,26)(H,24,27)/t12-,13-,14-/m0/s1.
What are the key properties of [(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4,6,6-tetramethyl-1-oxoheptan-2-yl] carbamate?
[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4,6,6-tetramethyl-1-oxoheptan-2-yl] carbamate has a molecular weight of 412.53 g/mol, XLogP of 1.19, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4,6,6-tetramethyl-1-oxoheptan-2-yl] carbamate is sourced from PubChem (CID 162478928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).