(3S)-1-(cyclopropylmethylcarbamoyl)piperidine-3-carboxylic acid

C11H18N2O3 — CID 81126444

IUPAC(3S)-1-(cyclopropylmethylcarbamoyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(C(=O)NCC2CC2)C1
InChIInChI=1S/C11H18N2O3/c14-10(15)9-2-1-5-13(7-9)11(16)12-6-8-3-4-8/h8-9H,1-7H2,(H,12,16)(H,14,15)/t9-/m0/s1
InChIKeyAYHQHOHNFYFRDT-VIFPVBQESA-N
MW226.28 g/mol
LogP0.90
Rot. Bonds3

About (3S)-1-(cyclopropylmethylcarbamoyl)piperidine-3-carboxylic acid

(3S)-1-(cyclopropylmethylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 81126444) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is (3S)-1-(cyclopropylmethylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(cyclopropylmethylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID81126444
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name(3S)-1-(cyclopropylmethylcarbamoyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(C(=O)NCC2CC2)C1
InChIInChI=1S/C11H18N2O3/c14-10(15)9-2-1-5-13(7-9)11(16)12-6-8-3-4-8/h8-9H,1-7H2,(H,12,16)(H,14,15)/t9-/m0/s1
InChIKeyAYHQHOHNFYFRDT-VIFPVBQESA-N
XLogP0.90
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclohexylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 43371699
1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 60855267
4-[[(3-methylpiperidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525817
(3S)-1-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 81118903
(3S)-1-(2-cyclopentylethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125798
1-(2-chloroethylcarbamoyl)piperidine-3-carboxylic acid
CID 16769399
(3S)-1-(2-methoxyethylcarbamoyl)piperidine-3-carboxylic acid
CID 28512077
1-[2-(carbamoylamino)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 83113986
(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990
(3R)-1-[2-(carbamoylamino)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 83114124
(3S)-1-(2-acetamidoethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125266
1-[(1-ethylpiperidin-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63032278

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(cyclopropylmethylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(cyclopropylmethylcarbamoyl)piperidine-3-carboxylic acid (CID 81126444) is (3S)-1-(cyclopropylmethylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(cyclopropylmethylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(cyclopropylmethylcarbamoyl)piperidine-3-carboxylic acid is O=C(O)[C@H]1CCCN(C(=O)NCC2CC2)C1.
What is the InChIKey of (3S)-1-(cyclopropylmethylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is AYHQHOHNFYFRDT-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N2O3/c14-10(15)9-2-1-5-13(7-9)11(16)12-6-8-3-4-8/h8-9H,1-7H2,(H,12,16)(H,14,15)/t9-/m0/s1.
What are the key properties of (3S)-1-(cyclopropylmethylcarbamoyl)piperidine-3-carboxylic acid?
(3S)-1-(cyclopropylmethylcarbamoyl)piperidine-3-carboxylic acid has a molecular weight of 226.28 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(cyclopropylmethylcarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 81126444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).