(2S)-2-[[2-amino-3-(2,2-dimethylcyclopropyl)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanamide

C16H28N4O3 — CID 166893555

IUPAC(2S)-2-[[2-amino-3-(2,2-dimethylcyclopropyl)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanamide
SMILESCC1(C)CC1CC(N)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(N)=O
InChIInChI=1S/C16H28N4O3/c1-16(2)8-10(16)7-11(17)15(23)20-12(13(18)21)6-9-4-3-5-19-14(9)22/h9-12H,3-8,17H2,1-2H3,(H2,18,21)(H,19,22)(H,20,23)/t9-,10?,11?,12-/m0/s1
InChIKeyYQRUZGUEHWLVCU-XKGSQUFQSA-N
MW324.43 g/mol
LogP-0.36
Rot. Bonds7

About (2S)-2-[[2-amino-3-(2,2-dimethylcyclopropyl)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanamide

(2S)-2-[[2-amino-3-(2,2-dimethylcyclopropyl)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanamide (PubChem CID 166893555) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is (2S)-2-[[2-amino-3-(2,2-dimethylcyclopropyl)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-[[2-amino-3-(2,2-dimethylcyclopropyl)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanamide
PubChem CID166893555
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC Name(2S)-2-[[2-amino-3-(2,2-dimethylcyclopropyl)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanamide
SMILESCC1(C)CC1CC(N)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(N)=O
InChIInChI=1S/C16H28N4O3/c1-16(2)8-10(16)7-11(17)15(23)20-12(13(18)21)6-9-4-3-5-19-14(9)22/h9-12H,3-8,17H2,1-2H3,(H2,18,21)(H,19,22)(H,20,23)/t9-,10?,11?,12-/m0/s1
InChIKeyYQRUZGUEHWLVCU-XKGSQUFQSA-N
XLogP-0.36
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 5-0.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[[2-amino-3-(2,2-dimethylcyclopropyl)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanamide with MolForge

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Related Compounds

(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide
CID 166840656
(2S)-2-[[2-hydrazinyl-3-(1-methylcyclopropyl)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanamide
CID 170017491
(2S)-2-[[(2S)-2-amino-4,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoic acid
CID 166744926
(2S)-2-amino-N-[(2S)-4-chloro-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]-3-cyclopropylpropanamide
CID 170431086
2-[(2-amino-4,4-dimethylpentanoyl)amino]-3-(2-oxopiperidin-3-yl)propanoic acid
CID 175458213
[(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
tert-butyl N-[1-amino-1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]carbamate
CID 167238360
(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-methylpentanamide;methanesulfonic acid
CID 175731532
2-amino-3-(2-oxopiperidin-3-yl)propanoic acid
CID 22247801
methyl 2-[(2-amino-3-cyclobutylpropanoyl)amino]-3-(2-oxopyrrolidin-3-yl)propanoate
CID 175458281
methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;hydrochloride
CID 162478934

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-amino-3-(2,2-dimethylcyclopropyl)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanamide?
The IUPAC name of (2S)-2-[[2-amino-3-(2,2-dimethylcyclopropyl)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanamide (CID 166893555) is (2S)-2-[[2-amino-3-(2,2-dimethylcyclopropyl)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanamide.
What is the SMILES notation for (2S)-2-[[2-amino-3-(2,2-dimethylcyclopropyl)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanamide?
The canonical SMILES for (2S)-2-[[2-amino-3-(2,2-dimethylcyclopropyl)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanamide is CC1(C)CC1CC(N)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(N)=O.
What is the InChIKey of (2S)-2-[[2-amino-3-(2,2-dimethylcyclopropyl)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanamide?
The InChIKey is YQRUZGUEHWLVCU-XKGSQUFQSA-N. The full InChI is InChI=1S/C16H28N4O3/c1-16(2)8-10(16)7-11(17)15(23)20-12(13(18)21)6-9-4-3-5-19-14(9)22/h9-12H,3-8,17H2,1-2H3,(H2,18,21)(H,19,22)(H,20,23)/t9-,10?,11?,12-/m0/s1.
What are the key properties of (2S)-2-[[2-amino-3-(2,2-dimethylcyclopropyl)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanamide?
(2S)-2-[[2-amino-3-(2,2-dimethylcyclopropyl)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanamide has a molecular weight of 324.43 g/mol, XLogP of -0.36, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-amino-3-(2,2-dimethylcyclopropyl)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanamide is sourced from PubChem (CID 166893555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).