cis-(1R,3S)-3-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid

C17H28N2O4 — CID 120678615

IUPACcis-(1R,3S)-3-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCCC(C)C(=O)N1CCCC(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)C1
InChIInChI=1S/C17H28N2O4/c1-3-11(2)16(21)19-8-4-5-13(10-19)15(20)18-14-7-6-12(9-14)17(22)23/h11-14H,3-10H2,1-2H3,(H,18,20)(H,22,23)/t11?,12-,13?,14+/m1/s1
InChIKeyUUXLBUUKUSGIFK-HHTDUIENSA-N
MW324.42 g/mol
LogP1.64
Rot. Bonds5

About cis-(1R,3S)-3-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120678615) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120678615
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Namecis-(1R,3S)-3-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCCC(C)C(=O)N1CCCC(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)C1
InChIInChI=1S/C17H28N2O4/c1-3-11(2)16(21)19-8-4-5-13(10-19)15(20)18-14-7-6-12(9-14)17(22)23/h11-14H,3-10H2,1-2H3,(H,18,20)(H,22,23)/t11?,12-,13?,14+/m1/s1
InChIKeyUUXLBUUKUSGIFK-HHTDUIENSA-N
XLogP1.64
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze cis-(1R,3S)-3-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]cyclopentane-1-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

N-(4-aminocyclohexyl)-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride
CID 119475324
(3S)-1-(2-methylbutanoyl)piperidine-3-carboxylic acid
CID 81120837
cis-(1S,3R)-3-[(1-butanoylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120675880
(3S)-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxylic acid
CID 28734803
4-methyl-2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 119188599
trans-(1R,2R)-2-[4-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]phenyl]cyclopropane-1-carboxylic acid
CID 136584741
3-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 103197211
2-methyl-1-[3-[4-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 119560583
N-(3-hydroxy-4-methylpentyl)-1-(2-methylbutanoyl)piperidine-3-carboxamide
CID 111460809
2-[2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119242528
2-methyl-2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 119192353
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-1-(2-methylbutanoyl)piperidine-3-carboxamide
CID 86965317

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid (CID 120678615) is cis-(1R,3S)-3-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid is CCC(C)C(=O)N1CCCC(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)C1.
What is the InChIKey of cis-(1R,3S)-3-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is UUXLBUUKUSGIFK-HHTDUIENSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-3-11(2)16(21)19-8-4-5-13(10-19)15(20)18-14-7-6-12(9-14)17(22)23/h11-14H,3-10H2,1-2H3,(H,18,20)(H,22,23)/t11?,12-,13?,14+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 324.42 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120678615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).