(2S)-4-hydroxy-2-[(2-propylpiperidine-1-carbonyl)amino]butanoic acid

C13H24N2O4 — CID 107828734

IUPAC(2S)-4-hydroxy-2-[(2-propylpiperidine-1-carbonyl)amino]butanoic acid
SMILESCCCC1CCCCN1C(=O)N[C@@H](CCO)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-2-5-10-6-3-4-8-15(10)13(19)14-11(7-9-16)12(17)18/h10-11,16H,2-9H2,1H3,(H,14,19)(H,17,18)/t10?,11-/m0/s1
InChIKeyLAAGJQVAHFTNNY-DTIOYNMSSA-N
MW272.34 g/mol
LogP1.19
Rot. Bonds6

About (2S)-4-hydroxy-2-[(2-propylpiperidine-1-carbonyl)amino]butanoic acid

(2S)-4-hydroxy-2-[(2-propylpiperidine-1-carbonyl)amino]butanoic acid (PubChem CID 107828734) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is (2S)-4-hydroxy-2-[(2-propylpiperidine-1-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-2-[(2-propylpiperidine-1-carbonyl)amino]butanoic acid
PubChem CID107828734
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name(2S)-4-hydroxy-2-[(2-propylpiperidine-1-carbonyl)amino]butanoic acid
SMILESCCCC1CCCCN1C(=O)N[C@@H](CCO)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-2-5-10-6-3-4-8-15(10)13(19)14-11(7-9-16)12(17)18/h10-11,16H,2-9H2,1H3,(H,14,19)(H,17,18)/t10?,11-/m0/s1
InChIKeyLAAGJQVAHFTNNY-DTIOYNMSSA-N
XLogP1.19
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-hydroxy-2-[(2-propylpiperidine-1-carbonyl)amino]propanoic acid
CID 83055978
(2S)-2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-hydroxybutanoic acid
CID 107826455
4-hydroxy-2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 62478870
(2R)-4-hydroxy-2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 114005601
(2R)-2-[[2-(hydroxymethyl)azepane-1-carbonyl]amino]pentanoic acid
CID 107567722
2-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]-4-hydroxybutanoic acid
CID 55128193
3-[(2-propylpiperidine-1-carbonyl)amino]butanoic acid
CID 83055756
2-(2-hydroxyethyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 60956630
2-[(2-ethylpiperidine-1-carbonyl)amino]-4-methylsulfonylbutanoic acid
CID 61196765
4-methyl-3-[(2-propylpiperidine-1-carbonyl)amino]pentanoic acid
CID 83055439
(2S)-4-hydroxy-2-[(4-propylpiperidine-1-carbonyl)amino]butanoic acid
CID 107827463
(2S)-5-amino-2-[(2-ethylazepane-1-carbonyl)amino]-5-oxopentanoic acid
CID 104690935

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-2-[(2-propylpiperidine-1-carbonyl)amino]butanoic acid?
The IUPAC name of (2S)-4-hydroxy-2-[(2-propylpiperidine-1-carbonyl)amino]butanoic acid (CID 107828734) is (2S)-4-hydroxy-2-[(2-propylpiperidine-1-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2S)-4-hydroxy-2-[(2-propylpiperidine-1-carbonyl)amino]butanoic acid?
The canonical SMILES for (2S)-4-hydroxy-2-[(2-propylpiperidine-1-carbonyl)amino]butanoic acid is CCCC1CCCCN1C(=O)N[C@@H](CCO)C(=O)O.
What is the InChIKey of (2S)-4-hydroxy-2-[(2-propylpiperidine-1-carbonyl)amino]butanoic acid?
The InChIKey is LAAGJQVAHFTNNY-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-2-5-10-6-3-4-8-15(10)13(19)14-11(7-9-16)12(17)18/h10-11,16H,2-9H2,1H3,(H,14,19)(H,17,18)/t10?,11-/m0/s1.
What are the key properties of (2S)-4-hydroxy-2-[(2-propylpiperidine-1-carbonyl)amino]butanoic acid?
(2S)-4-hydroxy-2-[(2-propylpiperidine-1-carbonyl)amino]butanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-2-[(2-propylpiperidine-1-carbonyl)amino]butanoic acid is sourced from PubChem (CID 107828734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).