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

C16H26N2O4 — CID 120675880

IUPACcis-(1S,3R)-3-[(1-butanoylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCCCC(=O)N1CCCC(C(=O)N[C@@H]2CC[C@H](C(=O)O)C2)C1
InChIInChI=1S/C16H26N2O4/c1-2-4-14(19)18-8-3-5-12(10-18)15(20)17-13-7-6-11(9-13)16(21)22/h11-13H,2-10H2,1H3,(H,17,20)(H,21,22)/t11-,12?,13+/m0/s1
InChIKeyDJGNOOUCWXPJFV-IAMFDIQRSA-N
MW310.39 g/mol
LogP1.39
Rot. Bonds5

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

cis-(1S,3R)-3-[(1-butanoylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 120675880) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is cis-(1S,3R)-3-[(1-butanoylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[(1-butanoylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID120675880
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Namecis-(1S,3R)-3-[(1-butanoylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCCCC(=O)N1CCCC(C(=O)N[C@@H]2CC[C@H](C(=O)O)C2)C1
InChIInChI=1S/C16H26N2O4/c1-2-4-14(19)18-8-3-5-12(10-18)15(20)17-13-7-6-11(9-13)16(21)22/h11-13H,2-10H2,1H3,(H,17,20)(H,21,22)/t11-,12?,13+/m0/s1
InChIKeyDJGNOOUCWXPJFV-IAMFDIQRSA-N
XLogP1.39
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678615
cis-(1S,3R)-3-[[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120674902
cis-(1R,3S)-3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677745
3-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 103197211
N-(1-benzylpiperidin-4-yl)-1-butanoylpiperidine-3-carboxamide
CID 55882707
3-N-(3-methylcyclopentyl)piperidine-1,3-dicarboxamide
CID 114550176
1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid
CID 57094658
(2S)-1-(1-butanoylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 119365358
N-(2-amino-2-methylpropyl)-1-butanoylpiperidine-3-carboxamide
CID 119629275
(3R)-1-hexanoylpiperidine-3-carboxylic acid
CID 28880755
(2S)-2-[(1-butanoylpiperidine-3-carbonyl)amino]hexanoic acid
CID 120614310
N-(1-butanoylpiperidin-4-yl)cyclopropanecarboxamide
CID 60758370

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[(1-butanoylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[(1-butanoylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 120675880) is cis-(1S,3R)-3-[(1-butanoylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[(1-butanoylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[(1-butanoylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid is CCCC(=O)N1CCCC(C(=O)N[C@@H]2CC[C@H](C(=O)O)C2)C1.
What is the InChIKey of cis-(1S,3R)-3-[(1-butanoylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is DJGNOOUCWXPJFV-IAMFDIQRSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-2-4-14(19)18-8-3-5-12(10-18)15(20)17-13-7-6-11(9-13)16(21)22/h11-13H,2-10H2,1H3,(H,17,20)(H,21,22)/t11-,12?,13+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[(1-butanoylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[(1-butanoylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 310.39 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[(1-butanoylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120675880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).