(2S)-4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-2-hydroxybutanoic acid

C14H22N2O5 — CID 107833948

IUPAC(2S)-4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-2-hydroxybutanoic acid
SMILESO=C(NCC[C@H](O)C(=O)O)C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C14H22N2O5/c17-11(14(20)21)5-6-15-12(18)10-2-1-7-16(8-10)13(19)9-3-4-9/h9-11,17H,1-8H2,(H,15,18)(H,20,21)/t10?,11-/m0/s1
InChIKeyAUWVTGJIFAVBQY-DTIOYNMSSA-N
MW298.34 g/mol
LogP-0.41
Rot. Bonds6

About (2S)-4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-2-hydroxybutanoic acid

(2S)-4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-2-hydroxybutanoic acid (PubChem CID 107833948) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is (2S)-4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-2-hydroxybutanoic acid
PubChem CID107833948
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name(2S)-4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-2-hydroxybutanoic acid
SMILESO=C(NCC[C@H](O)C(=O)O)C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C14H22N2O5/c17-11(14(20)21)5-6-15-12(18)10-2-1-7-16(8-10)13(19)9-3-4-9/h9-11,17H,1-8H2,(H,15,18)(H,20,21)/t10?,11-/m0/s1
InChIKeyAUWVTGJIFAVBQY-DTIOYNMSSA-N
XLogP-0.41
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-2-hydroxybutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-2-hydroxybutanoic acid
CID 107831751
(2S)-4-[(1-acetylpiperidine-3-carbonyl)amino]-2-hydroxybutanoic acid
CID 107834670
3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]propanoic acid
CID 43354917
(2S)-4-(cycloheptanecarbonylamino)-2-hydroxybutanoic acid
CID 107834810
2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]acetic acid
CID 43170581
1-(cyclopropanecarbonyl)-N-(5-hydroxy-4-methylpentyl)piperidine-3-carboxamide
CID 103862358
N-(3-methylbutyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109149725
N-(3-hydroxybutyl)-1-propanoylpiperidine-3-carboxamide
CID 111429215
(3R)-N-[2-[(S)-tert-butylsulfinyl]ethyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 95623392
1-(cyclopropanecarbonyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 128945509
1-(cyclopropanecarbonyl)-N-[2-(ethylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 47030909
3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]butanoic acid
CID 43172733

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-2-hydroxybutanoic acid?
The IUPAC name of (2S)-4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-2-hydroxybutanoic acid (CID 107833948) is (2S)-4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-2-hydroxybutanoic acid.
What is the SMILES notation for (2S)-4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-2-hydroxybutanoic acid?
The canonical SMILES for (2S)-4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-2-hydroxybutanoic acid is O=C(NCC[C@H](O)C(=O)O)C1CCCN(C(=O)C2CC2)C1.
What is the InChIKey of (2S)-4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-2-hydroxybutanoic acid?
The InChIKey is AUWVTGJIFAVBQY-DTIOYNMSSA-N. The full InChI is InChI=1S/C14H22N2O5/c17-11(14(20)21)5-6-15-12(18)10-2-1-7-16(8-10)13(19)9-3-4-9/h9-11,17H,1-8H2,(H,15,18)(H,20,21)/t10?,11-/m0/s1.
What are the key properties of (2S)-4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-2-hydroxybutanoic acid?
(2S)-4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-2-hydroxybutanoic acid has a molecular weight of 298.34 g/mol, XLogP of -0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107833948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).