2-hydroxy-4-[(4-propan-2-ylpiperidine-1-carbonyl)amino]butanoic acid

C13H24N2O4 — CID 107841501

IUPAC2-hydroxy-4-[(4-propan-2-ylpiperidine-1-carbonyl)amino]butanoic acid
SMILESCC(C)C1CCN(C(=O)NCCC(O)C(=O)O)CC1
InChIInChI=1S/C13H24N2O4/c1-9(2)10-4-7-15(8-5-10)13(19)14-6-3-11(16)12(17)18/h9-11,16H,3-8H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyVHVDRHSWESXALQ-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.90
Rot. Bonds5

About 2-hydroxy-4-[(4-propan-2-ylpiperidine-1-carbonyl)amino]butanoic acid

2-hydroxy-4-[(4-propan-2-ylpiperidine-1-carbonyl)amino]butanoic acid (PubChem CID 107841501) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-hydroxy-4-[(4-propan-2-ylpiperidine-1-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[(4-propan-2-ylpiperidine-1-carbonyl)amino]butanoic acid
PubChem CID107841501
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-hydroxy-4-[(4-propan-2-ylpiperidine-1-carbonyl)amino]butanoic acid
SMILESCC(C)C1CCN(C(=O)NCCC(O)C(=O)O)CC1
InChIInChI=1S/C13H24N2O4/c1-9(2)10-4-7-15(8-5-10)13(19)14-6-3-11(16)12(17)18/h9-11,16H,3-8H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyVHVDRHSWESXALQ-UHFFFAOYSA-N
XLogP0.90
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-4-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 107840959
(2S)-2-hydroxy-4-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 107835108
(2S)-2-hydroxy-4-[(4-hydroxypiperidine-1-carbonyl)amino]butanoic acid
CID 107838122
(2S)-4-[[4-(dimethylamino)piperidine-1-carbonyl]amino]-2-hydroxybutanoic acid
CID 107838542
4-(1-hydroxyethyl)-N-(3-methylbutyl)piperidine-1-carboxamide
CID 111437840
(2S)-2-hydroxy-3-[(4-propan-2-ylazepane-1-carbonyl)amino]propanoic acid
CID 107840142
(2S)-2-hydroxy-4-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 107840207
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonylamino)-2-hydroxybutanoic acid
CID 107838571
2-methyl-3-[(4-propan-2-ylpiperidine-1-carbonyl)amino]propanoic acid
CID 103500221
(2S)-2-hydroxy-4-(morpholine-4-carbonylamino)butanoic acid
CID 104934111
5-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-2-methylpentanoic acid
CID 104686906
(2S)-4-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-2-hydroxybutanoic acid
CID 107839962

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[(4-propan-2-ylpiperidine-1-carbonyl)amino]butanoic acid?
The IUPAC name of 2-hydroxy-4-[(4-propan-2-ylpiperidine-1-carbonyl)amino]butanoic acid (CID 107841501) is 2-hydroxy-4-[(4-propan-2-ylpiperidine-1-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-hydroxy-4-[(4-propan-2-ylpiperidine-1-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-hydroxy-4-[(4-propan-2-ylpiperidine-1-carbonyl)amino]butanoic acid is CC(C)C1CCN(C(=O)NCCC(O)C(=O)O)CC1.
What is the InChIKey of 2-hydroxy-4-[(4-propan-2-ylpiperidine-1-carbonyl)amino]butanoic acid?
The InChIKey is VHVDRHSWESXALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-9(2)10-4-7-15(8-5-10)13(19)14-6-3-11(16)12(17)18/h9-11,16H,3-8H2,1-2H3,(H,14,19)(H,17,18).
What are the key properties of 2-hydroxy-4-[(4-propan-2-ylpiperidine-1-carbonyl)amino]butanoic acid?
2-hydroxy-4-[(4-propan-2-ylpiperidine-1-carbonyl)amino]butanoic acid has a molecular weight of 272.34 g/mol, XLogP of 0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[(4-propan-2-ylpiperidine-1-carbonyl)amino]butanoic acid is sourced from PubChem (CID 107841501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).