(2S)-4-[(2,3-dimethylpiperidine-1-carbonyl)amino]-2-hydroxybutanoic acid

C12H22N2O4 — CID 114007449

IUPAC(2S)-4-[(2,3-dimethylpiperidine-1-carbonyl)amino]-2-hydroxybutanoic acid
SMILESCC1CCCN(C(=O)NCC[C@H](O)C(=O)O)C1C
InChIInChI=1S/C12H22N2O4/c1-8-4-3-7-14(9(8)2)12(18)13-6-5-10(15)11(16)17/h8-10,15H,3-7H2,1-2H3,(H,13,18)(H,16,17)/t8?,9?,10-/m0/s1
InChIKeyJUYNNIZUUNKAIH-RTBKNWGFSA-N
MW258.32 g/mol
LogP0.65
Rot. Bonds4

About (2S)-4-[(2,3-dimethylpiperidine-1-carbonyl)amino]-2-hydroxybutanoic acid

(2S)-4-[(2,3-dimethylpiperidine-1-carbonyl)amino]-2-hydroxybutanoic acid (PubChem CID 114007449) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is (2S)-4-[(2,3-dimethylpiperidine-1-carbonyl)amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-4-[(2,3-dimethylpiperidine-1-carbonyl)amino]-2-hydroxybutanoic acid
PubChem CID114007449
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name(2S)-4-[(2,3-dimethylpiperidine-1-carbonyl)amino]-2-hydroxybutanoic acid
SMILESCC1CCCN(C(=O)NCC[C@H](O)C(=O)O)C1C
InChIInChI=1S/C12H22N2O4/c1-8-4-3-7-14(9(8)2)12(18)13-6-5-10(15)11(16)17/h8-10,15H,3-7H2,1-2H3,(H,13,18)(H,16,17)/t8?,9?,10-/m0/s1
InChIKeyJUYNNIZUUNKAIH-RTBKNWGFSA-N
XLogP0.65
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-4-[(2,3-dimethylpiperidine-1-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-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]amino]-2-hydroxybutanoic acid
CID 107841410
(2S)-2-hydroxy-4-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]butanoic acid
CID 107841420
2-hydroxy-4-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 114007247
(2S)-2-hydroxy-4-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 107835108
(2R)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]propanoic acid
CID 78986525
2-hydroxy-4-[(2-methylcyclohexyl)carbamoylamino]butanoic acid
CID 114007129
2-hydroxy-4-[(4-propan-2-ylpiperidine-1-carbonyl)amino]butanoic acid
CID 107841501
(2R)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 79010361
(2S)-4-[(2,5-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybutanoic acid
CID 107838466
(2S)-4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonylamino)-2-hydroxybutanoic acid
CID 107839348
4-[(1-ethylpiperidin-3-yl)carbamoylamino]-2-hydroxybutanoic acid
CID 107838981
(2S)-2-hydroxy-4-[(4-hydroxypiperidine-1-carbonyl)amino]butanoic acid
CID 107838122

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(2,3-dimethylpiperidine-1-carbonyl)amino]-2-hydroxybutanoic acid?
The IUPAC name of (2S)-4-[(2,3-dimethylpiperidine-1-carbonyl)amino]-2-hydroxybutanoic acid (CID 114007449) is (2S)-4-[(2,3-dimethylpiperidine-1-carbonyl)amino]-2-hydroxybutanoic acid.
What is the SMILES notation for (2S)-4-[(2,3-dimethylpiperidine-1-carbonyl)amino]-2-hydroxybutanoic acid?
The canonical SMILES for (2S)-4-[(2,3-dimethylpiperidine-1-carbonyl)amino]-2-hydroxybutanoic acid is CC1CCCN(C(=O)NCC[C@H](O)C(=O)O)C1C.
What is the InChIKey of (2S)-4-[(2,3-dimethylpiperidine-1-carbonyl)amino]-2-hydroxybutanoic acid?
The InChIKey is JUYNNIZUUNKAIH-RTBKNWGFSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-8-4-3-7-14(9(8)2)12(18)13-6-5-10(15)11(16)17/h8-10,15H,3-7H2,1-2H3,(H,13,18)(H,16,17)/t8?,9?,10-/m0/s1.
What are the key properties of (2S)-4-[(2,3-dimethylpiperidine-1-carbonyl)amino]-2-hydroxybutanoic acid?
(2S)-4-[(2,3-dimethylpiperidine-1-carbonyl)amino]-2-hydroxybutanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(2,3-dimethylpiperidine-1-carbonyl)amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 114007449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).