(3S)-1-(pent-4-en-2-ylcarbamoyl)piperidine-3-carboxylic acid

C12H20N2O3 — CID 104861496

IUPAC(3S)-1-(pent-4-en-2-ylcarbamoyl)piperidine-3-carboxylic acid
SMILESC=CCC(C)NC(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C12H20N2O3/c1-3-5-9(2)13-12(17)14-7-4-6-10(8-14)11(15)16/h3,9-10H,1,4-8H2,2H3,(H,13,17)(H,15,16)/t9?,10-/m0/s1
InChIKeyUTGIXTDBCPUFLD-AXDSSHIGSA-N
MW240.30 g/mol
LogP1.46
Rot. Bonds4

About (3S)-1-(pent-4-en-2-ylcarbamoyl)piperidine-3-carboxylic acid

(3S)-1-(pent-4-en-2-ylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 104861496) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is (3S)-1-(pent-4-en-2-ylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(pent-4-en-2-ylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID104861496
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name(3S)-1-(pent-4-en-2-ylcarbamoyl)piperidine-3-carboxylic acid
SMILESC=CCC(C)NC(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C12H20N2O3/c1-3-5-9(2)13-12(17)14-7-4-6-10(8-14)11(15)16/h3,9-10H,1,4-8H2,2H3,(H,13,17)(H,15,16)/t9?,10-/m0/s1
InChIKeyUTGIXTDBCPUFLD-AXDSSHIGSA-N
XLogP1.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-(1-cyclopropylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81125514
(3S)-1-(1-methylsulfanylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 104863169
(3R)-1-(but-3-yn-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 104921713
4-(cyclopropanecarbonyl)-N-pent-4-en-2-yl-1,4-diazepane-1-carboxamide
CID 91661763
1-(1-cyclopropylethylcarbamoyl)piperidine-3-carboxylic acid
CID 43533691
(3R)-1-(1-cyclohexylethylcarbamoyl)piperidine-3-carboxylic acid
CID 81120508
(3R)-1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 81120052
(3R)-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-3-carboxylic acid
CID 81120213
(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

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(pent-4-en-2-ylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(pent-4-en-2-ylcarbamoyl)piperidine-3-carboxylic acid (CID 104861496) is (3S)-1-(pent-4-en-2-ylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(pent-4-en-2-ylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(pent-4-en-2-ylcarbamoyl)piperidine-3-carboxylic acid is C=CCC(C)NC(=O)N1CCC[C@H](C(=O)O)C1.
What is the InChIKey of (3S)-1-(pent-4-en-2-ylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is UTGIXTDBCPUFLD-AXDSSHIGSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-3-5-9(2)13-12(17)14-7-4-6-10(8-14)11(15)16/h3,9-10H,1,4-8H2,2H3,(H,13,17)(H,15,16)/t9?,10-/m0/s1.
What are the key properties of (3S)-1-(pent-4-en-2-ylcarbamoyl)piperidine-3-carboxylic acid?
(3S)-1-(pent-4-en-2-ylcarbamoyl)piperidine-3-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(pent-4-en-2-ylcarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 104861496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).