cis-(1S,2R)-2-(3-carbamoylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid

C13H20N2O4 — CID 114091476

IUPACcis-(1S,2R)-2-(3-carbamoylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
SMILESNC(=O)C1CCCN(C(=O)[C@@H]2CCC[C@@H]2C(=O)O)C1
InChIInChI=1S/C13H20N2O4/c14-11(16)8-3-2-6-15(7-8)12(17)9-4-1-5-10(9)13(18)19/h8-10H,1-7H2,(H2,14,16)(H,18,19)/t8?,9-,10+/m1/s1
InChIKeyWBVQASNJTNFOEA-XVBQNVSMSA-N
MW268.31 g/mol
LogP0.21
Rot. Bonds3

About cis-(1S,2R)-2-(3-carbamoylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid

cis-(1S,2R)-2-(3-carbamoylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid (PubChem CID 114091476) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is cis-(1S,2R)-2-(3-carbamoylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-(3-carbamoylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
PubChem CID114091476
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Namecis-(1S,2R)-2-(3-carbamoylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
SMILESNC(=O)C1CCCN(C(=O)[C@@H]2CCC[C@@H]2C(=O)O)C1
InChIInChI=1S/C13H20N2O4/c14-11(16)8-3-2-6-15(7-8)12(17)9-4-1-5-10(9)13(18)19/h8-10H,1-7H2,(H2,14,16)(H,18,19)/t8?,9-,10+/m1/s1
InChIKeyWBVQASNJTNFOEA-XVBQNVSMSA-N
XLogP0.21
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-carbamoylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114081812
(3R)-1-[(1R,2S)-2-(pyrrolidine-1-carbonyl)cyclohexanecarbonyl]piperidine-3-carboxylic acid
CID 100629246
1-(2-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid
CID 107175062
cis-(1S,2R)-2-(3,4-dimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114092330
2-[4-(2-carboxycyclohexanecarbonyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 4025165
2-(3,4-dimethylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103978927
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)cyclopentane-1-carboxylic acid
CID 103979074
1-(hydrazinecarbonyl)piperidine-3-carboxamide
CID 43164061
1-[(E)-C-aminocarbonohydrazonoyl]piperidine-3-carboxamide
CID 126972262
cis-(1R,2S)-2-(aziridine-1-carbonyl)cyclopentane-1-carboxamide
CID 57463673
2-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 114797273
(3S)-1-(4-aminooxolane-3-carbonyl)piperidine-3-carboxylic acid
CID 81126290

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(3-carbamoylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-(3-carbamoylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid (CID 114091476) is cis-(1S,2R)-2-(3-carbamoylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-(3-carbamoylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-(3-carbamoylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid is NC(=O)C1CCCN(C(=O)[C@@H]2CCC[C@@H]2C(=O)O)C1.
What is the InChIKey of cis-(1S,2R)-2-(3-carbamoylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid?
The InChIKey is WBVQASNJTNFOEA-XVBQNVSMSA-N. The full InChI is InChI=1S/C13H20N2O4/c14-11(16)8-3-2-6-15(7-8)12(17)9-4-1-5-10(9)13(18)19/h8-10H,1-7H2,(H2,14,16)(H,18,19)/t8?,9-,10+/m1/s1.
What are the key properties of cis-(1S,2R)-2-(3-carbamoylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid?
cis-(1S,2R)-2-(3-carbamoylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid has a molecular weight of 268.31 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(3-carbamoylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114091476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).