2-hydroxy-4-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]butanoic acid

C12H22N2O4 — CID 107840959

IUPAC2-hydroxy-4-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]butanoic acid
SMILESCC(C)C1CCN(C(=O)NCCC(O)C(=O)O)C1
InChIInChI=1S/C12H22N2O4/c1-8(2)9-4-6-14(7-9)12(18)13-5-3-10(15)11(16)17/h8-10,15H,3-7H2,1-2H3,(H,13,18)(H,16,17)
InChIKeySFYVFADSHFKSLS-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.51
Rot. Bonds5

About 2-hydroxy-4-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]butanoic acid

2-hydroxy-4-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]butanoic acid (PubChem CID 107840959) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-hydroxy-4-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]butanoic acid
PubChem CID107840959
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-hydroxy-4-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]butanoic acid
SMILESCC(C)C1CCN(C(=O)NCCC(O)C(=O)O)C1
InChIInChI=1S/C12H22N2O4/c1-8(2)9-4-6-14(7-9)12(18)13-5-3-10(15)11(16)17/h8-10,15H,3-7H2,1-2H3,(H,13,18)(H,16,17)
InChIKeySFYVFADSHFKSLS-UHFFFAOYSA-N
XLogP0.51
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-hydroxy-4-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]butanoic 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

2-hydroxy-4-[(4-propan-2-ylpiperidine-1-carbonyl)amino]butanoic acid
CID 107841501
(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
(2S)-2-hydroxy-4-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 107840207
5-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-2-methylpentanoic acid
CID 104686906
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonylamino)-2-hydroxybutanoic acid
CID 107838571
4-(1-hydroxyethyl)-N-(3-methylbutyl)piperidine-1-carboxamide
CID 111437840
(2S)-4-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-2-hydroxybutanoic acid
CID 107839962
4-[(3-ethyl-4-methylpiperazine-1-carbonyl)amino]-2-hydroxybutanoic acid
CID 114007514
(2S)-2-hydroxy-3-[(4-propan-2-ylazepane-1-carbonyl)amino]propanoic acid
CID 107840142
(3S)-3-[(1S)-1-hydroxyethyl]-N-(5-methylhexyl)pyrrolidine-1-carboxamide
CID 97351621

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]butanoic acid?
The IUPAC name of 2-hydroxy-4-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]butanoic acid (CID 107840959) is 2-hydroxy-4-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-hydroxy-4-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-hydroxy-4-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]butanoic acid is CC(C)C1CCN(C(=O)NCCC(O)C(=O)O)C1.
What is the InChIKey of 2-hydroxy-4-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]butanoic acid?
The InChIKey is SFYVFADSHFKSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-8(2)9-4-6-14(7-9)12(18)13-5-3-10(15)11(16)17/h8-10,15H,3-7H2,1-2H3,(H,13,18)(H,16,17).
What are the key properties of 2-hydroxy-4-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]butanoic acid?
2-hydroxy-4-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]butanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]butanoic acid is sourced from PubChem (CID 107840959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).