4-[(2-hydroxy-2,4-dimethylpentyl)amino]pentanoic acid

C12H25NO3 — CID 66178586

IUPAC4-[(2-hydroxy-2,4-dimethylpentyl)amino]pentanoic acid
SMILESCC(C)CC(C)(O)CNC(C)CCC(=O)O
InChIInChI=1S/C12H25NO3/c1-9(2)7-12(4,16)8-13-10(3)5-6-11(14)15/h9-10,13,16H,5-8H2,1-4H3,(H,14,15)
InChIKeyWSAOUYDTSGQIGJ-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.63
Rot. Bonds8

About 4-[(2-hydroxy-2,4-dimethylpentyl)amino]pentanoic acid

4-[(2-hydroxy-2,4-dimethylpentyl)amino]pentanoic acid (PubChem CID 66178586) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-[(2-hydroxy-2,4-dimethylpentyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-[(2-hydroxy-2,4-dimethylpentyl)amino]pentanoic acid
PubChem CID66178586
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name4-[(2-hydroxy-2,4-dimethylpentyl)amino]pentanoic acid
SMILESCC(C)CC(C)(O)CNC(C)CCC(=O)O
InChIInChI=1S/C12H25NO3/c1-9(2)7-12(4,16)8-13-10(3)5-6-11(14)15/h9-10,13,16H,5-8H2,1-4H3,(H,14,15)
InChIKeyWSAOUYDTSGQIGJ-UHFFFAOYSA-N
XLogP1.63
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[(2-hydroxy-2,4-dimethylpentyl)amino]pentanoic 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-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pentanoic acid
CID 106249581
4-hydroxy-4,6-dimethylheptanoic acid
CID 66324059
4-[(2-methoxy-2-methylpropyl)amino]pentanoic acid
CID 104759577
2-[(2-hydroxy-2,4-dimethylpentyl)amino]acetic acid
CID 66178823
3-[(2-hydroxy-2,4-dimethylpentyl)amino]-2-methylbutanoic acid
CID 79397406
3-[(2,3-dihydroxy-2-methylpropyl)amino]butanoic acid
CID 66185324
methyl 3-[(2-hydroxy-2,4-dimethylpentyl)amino]-2-methylbutanoate
CID 79397549
4-amino-N-(2-hydroxy-2,4-dimethylpentyl)pentanamide
CID 66172265
4-(2,2-difluoroethylamino)pentanoic acid
CID 115405874
N-(2-hydroxy-2,4-dimethylpentyl)-2,2-dimethylpropanamide
CID 66180259
N-(2-hydroxy-2,4-dimethylpentyl)-2-methylpropanamide
CID 66180454
3-[(2-hydroxy-2,4-dimethylpentyl)amino]-2-methyl-3-oxopropanoic acid
CID 114898712

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-2,4-dimethylpentyl)amino]pentanoic acid?
The IUPAC name of 4-[(2-hydroxy-2,4-dimethylpentyl)amino]pentanoic acid (CID 66178586) is 4-[(2-hydroxy-2,4-dimethylpentyl)amino]pentanoic acid.
What is the SMILES notation for 4-[(2-hydroxy-2,4-dimethylpentyl)amino]pentanoic acid?
The canonical SMILES for 4-[(2-hydroxy-2,4-dimethylpentyl)amino]pentanoic acid is CC(C)CC(C)(O)CNC(C)CCC(=O)O.
What is the InChIKey of 4-[(2-hydroxy-2,4-dimethylpentyl)amino]pentanoic acid?
The InChIKey is WSAOUYDTSGQIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-9(2)7-12(4,16)8-13-10(3)5-6-11(14)15/h9-10,13,16H,5-8H2,1-4H3,(H,14,15).
What are the key properties of 4-[(2-hydroxy-2,4-dimethylpentyl)amino]pentanoic acid?
4-[(2-hydroxy-2,4-dimethylpentyl)amino]pentanoic acid has a molecular weight of 231.34 g/mol, XLogP of 1.63, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-2,4-dimethylpentyl)amino]pentanoic acid is sourced from PubChem (CID 66178586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).