(3R)-1-[(3-ethyl-2-methylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid

C15H26N2O3 — CID 81119833

IUPAC(3R)-1-[(3-ethyl-2-methylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCCC1CCC(NC(=O)N2CCC[C@@H](C(=O)O)C2)C1C
InChIInChI=1S/C15H26N2O3/c1-3-11-6-7-13(10(11)2)16-15(20)17-8-4-5-12(9-17)14(18)19/h10-13H,3-9H2,1-2H3,(H,16,20)(H,18,19)/t10?,11?,12-,13?/m1/s1
InChIKeyYBEQHSQFXDDGIN-AYNROABZSA-N
MW282.38 g/mol
LogP2.32
Rot. Bonds3

About (3R)-1-[(3-ethyl-2-methylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid

(3R)-1-[(3-ethyl-2-methylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 81119833) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is (3R)-1-[(3-ethyl-2-methylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(3-ethyl-2-methylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID81119833
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name(3R)-1-[(3-ethyl-2-methylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCCC1CCC(NC(=O)N2CCC[C@@H](C(=O)O)C2)C1C
InChIInChI=1S/C15H26N2O3/c1-3-11-6-7-13(10(11)2)16-15(20)17-8-4-5-12(9-17)14(18)19/h10-13H,3-9H2,1-2H3,(H,16,20)(H,18,19)/t10?,11?,12-,13?/m1/s1
InChIKeyYBEQHSQFXDDGIN-AYNROABZSA-N
XLogP2.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-methylcyclopropyl)carbamoyl]piperidine-3-carboxylic acid
CID 62409221
(3S)-1-[(2-methylcycloheptyl)carbamoyl]piperidine-3-carboxylic acid
CID 81123969
1-[(2-methyloxolan-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 82727888
1-[(1,3-dimethylpiperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 114505369
(3S)-1-[(3-ethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126411
(3S)-1-[(3,5-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126261
3-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 64914232
(3R)-1-[(1-methylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120892
(3S)-1-[(4,4-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
CID 81125593
3-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 115535206
2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 64915825
1-[(2-benzylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid
CID 122002970

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3-ethyl-2-methylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[(3-ethyl-2-methylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid (CID 81119833) is (3R)-1-[(3-ethyl-2-methylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[(3-ethyl-2-methylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[(3-ethyl-2-methylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid is CCC1CCC(NC(=O)N2CCC[C@@H](C(=O)O)C2)C1C.
What is the InChIKey of (3R)-1-[(3-ethyl-2-methylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is YBEQHSQFXDDGIN-AYNROABZSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-3-11-6-7-13(10(11)2)16-15(20)17-8-4-5-12(9-17)14(18)19/h10-13H,3-9H2,1-2H3,(H,16,20)(H,18,19)/t10?,11?,12-,13?/m1/s1.
What are the key properties of (3R)-1-[(3-ethyl-2-methylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid?
(3R)-1-[(3-ethyl-2-methylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3-ethyl-2-methylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81119833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).