(3S)-1-(1-cyclopropylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid

C13H22N2O3 — CID 81125514

IUPAC(3S)-1-(1-cyclopropylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
SMILESCC(CC1CC1)NC(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C13H22N2O3/c1-9(7-10-4-5-10)14-13(18)15-6-2-3-11(8-15)12(16)17/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17)/t9?,11-/m0/s1
InChIKeyJKVIFOWUTVYGLK-UMJHXOGRSA-N
MW254.33 g/mol
LogP1.68
Rot. Bonds4

About (3S)-1-(1-cyclopropylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid

(3S)-1-(1-cyclopropylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 81125514) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is (3S)-1-(1-cyclopropylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(1-cyclopropylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID81125514
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name(3S)-1-(1-cyclopropylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
SMILESCC(CC1CC1)NC(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C13H22N2O3/c1-9(7-10-4-5-10)14-13(18)15-6-2-3-11(8-15)12(16)17/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17)/t9?,11-/m0/s1
InChIKeyJKVIFOWUTVYGLK-UMJHXOGRSA-N
XLogP1.68
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-(pent-4-en-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 104861496
(3S)-1-(1-methylsulfanylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 104863169
1-(1-cyclopropylethylcarbamoyl)piperidine-3-carboxylic acid
CID 43533691
(3R)-1-(1-cyclohexylethylcarbamoyl)piperidine-3-carboxylic acid
CID 81120508
(3R)-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-3-carboxylic acid
CID 81120213
(3R)-1-(but-3-yn-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 104921713
(3R)-1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 81120052
(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990
1-(4-methylpentan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63032946
(3R)-1-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 81120309
(3S)-1-(hexan-3-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81125361
(3S)-1-(cyclopropylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 81126444

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1-cyclopropylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(1-cyclopropylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid (CID 81125514) is (3S)-1-(1-cyclopropylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(1-cyclopropylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(1-cyclopropylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid is CC(CC1CC1)NC(=O)N1CCC[C@H](C(=O)O)C1.
What is the InChIKey of (3S)-1-(1-cyclopropylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is JKVIFOWUTVYGLK-UMJHXOGRSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-9(7-10-4-5-10)14-13(18)15-6-2-3-11(8-15)12(16)17/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17)/t9?,11-/m0/s1.
What are the key properties of (3S)-1-(1-cyclopropylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid?
(3S)-1-(1-cyclopropylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1-cyclopropylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 81125514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).