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

C13H24N2O4 — CID 107827463

IUPAC(2S)-4-hydroxy-2-[(4-propylpiperidine-1-carbonyl)amino]butanoic acid
SMILESCCCC1CCN(C(=O)N[C@@H](CCO)C(=O)O)CC1
InChIInChI=1S/C13H24N2O4/c1-2-3-10-4-7-15(8-5-10)13(19)14-11(6-9-16)12(17)18/h10-11,16H,2-9H2,1H3,(H,14,19)(H,17,18)/t11-/m0/s1
InChIKeyGMPHJTSLHUZOIT-NSHDSACASA-N
MW272.34 g/mol
LogP1.04
Rot. Bonds6

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

(2S)-4-hydroxy-2-[(4-propylpiperidine-1-carbonyl)amino]butanoic acid (PubChem CID 107827463) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is (2S)-4-hydroxy-2-[(4-propylpiperidine-1-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-2-[(4-propylpiperidine-1-carbonyl)amino]butanoic acid
PubChem CID107827463
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name(2S)-4-hydroxy-2-[(4-propylpiperidine-1-carbonyl)amino]butanoic acid
SMILESCCCC1CCN(C(=O)N[C@@H](CCO)C(=O)O)CC1
InChIInChI=1S/C13H24N2O4/c1-2-3-10-4-7-15(8-5-10)13(19)14-11(6-9-16)12(17)18/h10-11,16H,2-9H2,1H3,(H,14,19)(H,17,18)/t11-/m0/s1
InChIKeyGMPHJTSLHUZOIT-NSHDSACASA-N
XLogP1.04
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 ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-hydroxy-2-[(3-propylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 107828904
(2R)-2-[(3-propylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107567557
(2R)-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 107566112
4-hydroxy-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 63977875
(2R)-4-hydroxy-2-[(4-methylazepane-1-carbonyl)amino]butanoic acid
CID 114005640
(2R)-4-hydroxy-2-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 114005820
(2R)-2-[(3-aminopyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107566773
2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-4-hydroxybutanoic acid
CID 63550411
(2S)-4-hydroxy-2-[(3-hydroxypyrrolidine-1-carbonyl)amino]butanoic acid
CID 107827615
(2S)-2-[(4-aminopiperidine-1-carbonyl)amino]hexanoic acid
CID 107145596
(2S)-2-[(4-methylazepane-1-carbonyl)amino]pentanoic acid
CID 107566997
2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-4-methylsulfonylbutanoic acid
CID 61196473

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-2-[(4-propylpiperidine-1-carbonyl)amino]butanoic acid?
The IUPAC name of (2S)-4-hydroxy-2-[(4-propylpiperidine-1-carbonyl)amino]butanoic acid (CID 107827463) is (2S)-4-hydroxy-2-[(4-propylpiperidine-1-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2S)-4-hydroxy-2-[(4-propylpiperidine-1-carbonyl)amino]butanoic acid?
The canonical SMILES for (2S)-4-hydroxy-2-[(4-propylpiperidine-1-carbonyl)amino]butanoic acid is CCCC1CCN(C(=O)N[C@@H](CCO)C(=O)O)CC1.
What is the InChIKey of (2S)-4-hydroxy-2-[(4-propylpiperidine-1-carbonyl)amino]butanoic acid?
The InChIKey is GMPHJTSLHUZOIT-NSHDSACASA-N. The full InChI is InChI=1S/C13H24N2O4/c1-2-3-10-4-7-15(8-5-10)13(19)14-11(6-9-16)12(17)18/h10-11,16H,2-9H2,1H3,(H,14,19)(H,17,18)/t11-/m0/s1.
What are the key properties of (2S)-4-hydroxy-2-[(4-propylpiperidine-1-carbonyl)amino]butanoic acid?
(2S)-4-hydroxy-2-[(4-propylpiperidine-1-carbonyl)amino]butanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.04, 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-[(4-propylpiperidine-1-carbonyl)amino]butanoic acid is sourced from PubChem (CID 107827463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).