(2S)-1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-2-carboxylic acid

C14H22N2O4 — CID 66262991

IUPAC(2S)-1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-2-carboxylic acid
SMILESCC1CC1C(=O)NCCC(=O)N1CCCC[C@H]1C(=O)O
InChIInChI=1S/C14H22N2O4/c1-9-8-10(9)13(18)15-6-5-12(17)16-7-3-2-4-11(16)14(19)20/h9-11H,2-8H2,1H3,(H,15,18)(H,19,20)/t9?,10?,11-/m0/s1
InChIKeyGPGAUFDBHBOIKE-ILDUYXDCSA-N
MW282.34 g/mol
LogP0.61
Rot. Bonds5

About (2S)-1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-2-carboxylic acid

(2S)-1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-2-carboxylic acid (PubChem CID 66262991) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is (2S)-1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-2-carboxylic acid
PubChem CID66262991
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name(2S)-1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-2-carboxylic acid
SMILESCC1CC1C(=O)NCCC(=O)N1CCCC[C@H]1C(=O)O
InChIInChI=1S/C14H22N2O4/c1-9-8-10(9)13(18)15-6-5-12(17)16-7-3-2-4-11(16)14(19)20/h9-11H,2-8H2,1H3,(H,15,18)(H,19,20)/t9?,10?,11-/m0/s1
InChIKeyGPGAUFDBHBOIKE-ILDUYXDCSA-N
XLogP0.61
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-acetamidopropanoyl)piperidine-2-carboxylic acid
CID 43355950
1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-4-carboxylic acid
CID 43354240
1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-3-carboxylic acid
CID 43355894
(2S)-1-[3-(cyclopentanecarbonylamino)propanoyl]-N-methylpiperidine-2-carboxamide
CID 32599029
(2S)-1-(3-methylsulfanylpropanoyl)piperidine-2-carboxylic acid
CID 28778059
1-(2-methylcyclopropanecarbonyl)azepane-2-carboxylic acid
CID 64560111
2-[[3-(azepan-1-yl)-3-oxopropyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975723
1-[3-(propan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 61157681
1-(6-acetamidohexanoyl)azepane-2-carboxylic acid
CID 64559922
(2R)-1-(2-methoxyacetyl)piperidine-2-carboxylic acid
CID 30046872
1-(3-aminopropanoyl)azepane-2-carboxylic acid
CID 64564266
(2R)-N-(3-aminopropyl)-1-nonanoylpiperidine-2-carboxamide;(2S)-N-(3-aminopropyl)-1-nonanoylpiperidine-2-carboxamide;(2R)-1-octanoylpiperidine-2-carboxylic acid;pentane-1,5-diamine
CID 172840576

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-2-carboxylic acid (CID 66262991) is (2S)-1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-2-carboxylic acid is CC1CC1C(=O)NCCC(=O)N1CCCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-2-carboxylic acid?
The InChIKey is GPGAUFDBHBOIKE-ILDUYXDCSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-9-8-10(9)13(18)15-6-5-12(17)16-7-3-2-4-11(16)14(19)20/h9-11H,2-8H2,1H3,(H,15,18)(H,19,20)/t9?,10?,11-/m0/s1.
What are the key properties of (2S)-1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-2-carboxylic acid?
(2S)-1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-2-carboxylic acid has a molecular weight of 282.34 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 66262991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).