2-[(2-amino-4,4-dimethylpentanoyl)amino]-3-(2-oxopiperidin-3-yl)propanoic acid

C15H27N3O4 — CID 175458213

IUPAC2-[(2-amino-4,4-dimethylpentanoyl)amino]-3-(2-oxopiperidin-3-yl)propanoic acid
SMILESCC(C)(C)CC(N)C(=O)NC(CC1CCCNC1=O)C(=O)O
InChIInChI=1S/C15H27N3O4/c1-15(2,3)8-10(16)13(20)18-11(14(21)22)7-9-5-4-6-17-12(9)19/h9-11H,4-8,16H2,1-3H3,(H,17,19)(H,18,20)(H,21,22)
InChIKeyZPEDDASYYJPKKH-UHFFFAOYSA-N
MW313.40 g/mol
LogP0.24
Rot. Bonds6

About 2-[(2-amino-4,4-dimethylpentanoyl)amino]-3-(2-oxopiperidin-3-yl)propanoic acid

2-[(2-amino-4,4-dimethylpentanoyl)amino]-3-(2-oxopiperidin-3-yl)propanoic acid (PubChem CID 175458213) has the molecular formula C15H27N3O4 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[(2-amino-4,4-dimethylpentanoyl)amino]-3-(2-oxopiperidin-3-yl)propanoic acid.

Molecular Properties

Compound Name2-[(2-amino-4,4-dimethylpentanoyl)amino]-3-(2-oxopiperidin-3-yl)propanoic acid
PubChem CID175458213
Molecular FormulaC15H27N3O4
Molecular Weight313.40 g/mol
Exact Mass313.20
IUPAC Name2-[(2-amino-4,4-dimethylpentanoyl)amino]-3-(2-oxopiperidin-3-yl)propanoic acid
SMILESCC(C)(C)CC(N)C(=O)NC(CC1CCCNC1=O)C(=O)O
InChIInChI=1S/C15H27N3O4/c1-15(2,3)8-10(16)13(20)18-11(14(21)22)7-9-5-4-6-17-12(9)19/h9-11H,4-8,16H2,1-3H3,(H,17,19)(H,18,20)(H,21,22)
InChIKeyZPEDDASYYJPKKH-UHFFFAOYSA-N
XLogP0.24
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 50.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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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-[[(2S)-2-amino-4-fluoro-4-methylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoic acid
CID 175871162
2-amino-3-(2-oxopiperidin-3-yl)propanoic acid
CID 22247801
(2S)-2-amino-N-[(2S)-4-chloro-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]-3-cyclopropylpropanamide
CID 170431086
(2S)-2-[[2-amino-3-(2,2-dimethylcyclopropyl)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanamide
CID 166893555
[(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
2-amino-N-[4-chloro-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]-3-cyclopropylpropanamide;hydrochloride
CID 170431093
(3S)-2-(2,2-dimethylpropyl)-3-[[(3S)-2-oxopiperidin-3-yl]methyl]butanediamide
CID 162479477
tert-butyl N-[(2S)-1-[[(2S)-4-chloro-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]carbamate
CID 164544240
(2S)-2-amino-N-[(2S)-1-hydroxy-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-4-methylpentanamide
CID 155375812
tert-butyl N-[1-amino-1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]carbamate
CID 167238360
methyl 2-[(2-amino-3-cyclobutylpropanoyl)amino]-3-(2-oxopyrrolidin-3-yl)propanoate
CID 175458281

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4,4-dimethylpentanoyl)amino]-3-(2-oxopiperidin-3-yl)propanoic acid?
The IUPAC name of 2-[(2-amino-4,4-dimethylpentanoyl)amino]-3-(2-oxopiperidin-3-yl)propanoic acid (CID 175458213) is 2-[(2-amino-4,4-dimethylpentanoyl)amino]-3-(2-oxopiperidin-3-yl)propanoic acid.
What is the SMILES notation for 2-[(2-amino-4,4-dimethylpentanoyl)amino]-3-(2-oxopiperidin-3-yl)propanoic acid?
The canonical SMILES for 2-[(2-amino-4,4-dimethylpentanoyl)amino]-3-(2-oxopiperidin-3-yl)propanoic acid is CC(C)(C)CC(N)C(=O)NC(CC1CCCNC1=O)C(=O)O.
What is the InChIKey of 2-[(2-amino-4,4-dimethylpentanoyl)amino]-3-(2-oxopiperidin-3-yl)propanoic acid?
The InChIKey is ZPEDDASYYJPKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O4/c1-15(2,3)8-10(16)13(20)18-11(14(21)22)7-9-5-4-6-17-12(9)19/h9-11H,4-8,16H2,1-3H3,(H,17,19)(H,18,20)(H,21,22).
What are the key properties of 2-[(2-amino-4,4-dimethylpentanoyl)amino]-3-(2-oxopiperidin-3-yl)propanoic acid?
2-[(2-amino-4,4-dimethylpentanoyl)amino]-3-(2-oxopiperidin-3-yl)propanoic acid has a molecular weight of 313.40 g/mol, XLogP of 0.24, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4,4-dimethylpentanoyl)amino]-3-(2-oxopiperidin-3-yl)propanoic acid is sourced from PubChem (CID 175458213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).