(3S)-2-(2,2-dimethylpropyl)-3-[[(3S)-2-oxopiperidin-3-yl]methyl]butanediamide

C15H27N3O3 — CID 162479477

IUPAC(3S)-2-(2,2-dimethylpropyl)-3-[[(3S)-2-oxopiperidin-3-yl]methyl]butanediamide
SMILESCC(C)(C)CC(C(N)=O)[C@H](C[C@@H]1CCCNC1=O)C(N)=O
InChIInChI=1S/C15H27N3O3/c1-15(2,3)8-11(13(17)20)10(12(16)19)7-9-5-4-6-18-14(9)21/h9-11H,4-8H2,1-3H3,(H2,16,19)(H2,17,20)(H,18,21)/t9-,10-,11?/m0/s1
InChIKeyPWJDSSQPSICEHJ-QRHSGQBVSA-N
MW297.40 g/mol
LogP0.54
Rot. Bonds6

About (3S)-2-(2,2-dimethylpropyl)-3-[[(3S)-2-oxopiperidin-3-yl]methyl]butanediamide

(3S)-2-(2,2-dimethylpropyl)-3-[[(3S)-2-oxopiperidin-3-yl]methyl]butanediamide (PubChem CID 162479477) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is (3S)-2-(2,2-dimethylpropyl)-3-[[(3S)-2-oxopiperidin-3-yl]methyl]butanediamide.

Molecular Properties

Compound Name(3S)-2-(2,2-dimethylpropyl)-3-[[(3S)-2-oxopiperidin-3-yl]methyl]butanediamide
PubChem CID162479477
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name(3S)-2-(2,2-dimethylpropyl)-3-[[(3S)-2-oxopiperidin-3-yl]methyl]butanediamide
SMILESCC(C)(C)CC(C(N)=O)[C@H](C[C@@H]1CCCNC1=O)C(N)=O
InChIInChI=1S/C15H27N3O3/c1-15(2,3)8-11(13(17)20)10(12(16)19)7-9-5-4-6-18-14(9)21/h9-11H,4-8H2,1-3H3,(H2,16,19)(H2,17,20)(H,18,21)/t9-,10-,11?/m0/s1
InChIKeyPWJDSSQPSICEHJ-QRHSGQBVSA-N
XLogP0.54
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(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
2-amino-3-(2-oxopiperidin-3-yl)propanoic acid
CID 22247801
tert-butyl N-[1-amino-1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]carbamate
CID 167238360
[(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
ethyl 2-amino-3-(2-oxopiperidin-3-yl)propanoate;hydrochloride
CID 169257069
2-amino-3-(2-oxopyrrolidin-3-yl)propanamide
CID 166112267
2-amino-3-(2-oxopyrrolidin-3-yl)propanamide;prop-1-ene
CID 166112266
3,3-dimethylbutan-2-one;3-(2,2-dimethylpropyl)piperidin-2-one;3-(2,2-dimethylpropyl)pyrrolidin-2-one
CID 162064096
(3S)-3-(2-amino-2-hydroxyethyl)azepan-2-one
CID 68951784
(2S)-2-[[2-amino-3-(2,2-dimethylcyclopropyl)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanamide
CID 166893555
(2S)-2-amino-N-[(2S)-1-hydroxy-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-4-methylpentanamide
CID 155375812

Frequently Asked Questions

What is the IUPAC name of (3S)-2-(2,2-dimethylpropyl)-3-[[(3S)-2-oxopiperidin-3-yl]methyl]butanediamide?
The IUPAC name of (3S)-2-(2,2-dimethylpropyl)-3-[[(3S)-2-oxopiperidin-3-yl]methyl]butanediamide (CID 162479477) is (3S)-2-(2,2-dimethylpropyl)-3-[[(3S)-2-oxopiperidin-3-yl]methyl]butanediamide.
What is the SMILES notation for (3S)-2-(2,2-dimethylpropyl)-3-[[(3S)-2-oxopiperidin-3-yl]methyl]butanediamide?
The canonical SMILES for (3S)-2-(2,2-dimethylpropyl)-3-[[(3S)-2-oxopiperidin-3-yl]methyl]butanediamide is CC(C)(C)CC(C(N)=O)[C@H](C[C@@H]1CCCNC1=O)C(N)=O.
What is the InChIKey of (3S)-2-(2,2-dimethylpropyl)-3-[[(3S)-2-oxopiperidin-3-yl]methyl]butanediamide?
The InChIKey is PWJDSSQPSICEHJ-QRHSGQBVSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-15(2,3)8-11(13(17)20)10(12(16)19)7-9-5-4-6-18-14(9)21/h9-11H,4-8H2,1-3H3,(H2,16,19)(H2,17,20)(H,18,21)/t9-,10-,11?/m0/s1.
What are the key properties of (3S)-2-(2,2-dimethylpropyl)-3-[[(3S)-2-oxopiperidin-3-yl]methyl]butanediamide?
(3S)-2-(2,2-dimethylpropyl)-3-[[(3S)-2-oxopiperidin-3-yl]methyl]butanediamide has a molecular weight of 297.40 g/mol, XLogP of 0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-(2,2-dimethylpropyl)-3-[[(3S)-2-oxopiperidin-3-yl]methyl]butanediamide is sourced from PubChem (CID 162479477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).