4-(2-methylpentan-3-ylamino)butanoic acid

C10H21NO2 — CID 60782798

IUPAC4-(2-methylpentan-3-ylamino)butanoic acid
SMILESCCC(NCCCC(=O)O)C(C)C
InChIInChI=1S/C10H21NO2/c1-4-9(8(2)3)11-7-5-6-10(12)13/h8-9,11H,4-7H2,1-3H3,(H,12,13)
InChIKeyMXEDPPITHKEHSZ-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.88
Rot. Bonds7

About 4-(2-methylpentan-3-ylamino)butanoic acid

4-(2-methylpentan-3-ylamino)butanoic acid (PubChem CID 60782798) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 4-(2-methylpentan-3-ylamino)butanoic acid.

Molecular Properties

Compound Name4-(2-methylpentan-3-ylamino)butanoic acid
PubChem CID60782798
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name4-(2-methylpentan-3-ylamino)butanoic acid
SMILESCCC(NCCCC(=O)O)C(C)C
InChIInChI=1S/C10H21NO2/c1-4-9(8(2)3)11-7-5-6-10(12)13/h8-9,11H,4-7H2,1-3H3,(H,12,13)
InChIKeyMXEDPPITHKEHSZ-UHFFFAOYSA-N
XLogP1.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(2-methylpentan-3-ylamino)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

4-[[1-(3,4-dimethylphenyl)-1-hydroxybutan-2-yl]amino]butanoic acid
CID 82312568
methyl 3-(2-methylpentan-3-ylamino)propanoate
CID 43774714
4-(1-hydroxypropan-2-ylamino)butanoic acid
CID 43499958
4-[[1-hydroxy-1-(4-methylphenyl)butan-2-yl]amino]butanoic acid
CID 82312389
5-(2-methylpentan-3-ylcarbamoylamino)hexanoic acid
CID 82848913
N-[(3R)-2-methylpentan-3-yl]hexan-1-amine
CID 162530079
N-(3-chloropropyl)-2-methylpentan-3-amine
CID 88742060
4-[(1-hydroxy-1-thiophen-2-ylbutan-2-yl)amino]butanoic acid
CID 82314515
2-hydroxy-2-methyl-3-(2-methylpentan-3-ylamino)propanoic acid
CID 104644167
3-[(1-hydroxy-4-methylpentan-3-yl)amino]propanoic acid
CID 106349414
4-[[1-(diethylamino)-1-oxopropan-2-yl]amino]butanoic acid
CID 43473350
2-methyl-3-(2-methylpentan-3-ylamino)propanoic acid
CID 61469518

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpentan-3-ylamino)butanoic acid?
The IUPAC name of 4-(2-methylpentan-3-ylamino)butanoic acid (CID 60782798) is 4-(2-methylpentan-3-ylamino)butanoic acid.
What is the SMILES notation for 4-(2-methylpentan-3-ylamino)butanoic acid?
The canonical SMILES for 4-(2-methylpentan-3-ylamino)butanoic acid is CCC(NCCCC(=O)O)C(C)C.
What is the InChIKey of 4-(2-methylpentan-3-ylamino)butanoic acid?
The InChIKey is MXEDPPITHKEHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-9(8(2)3)11-7-5-6-10(12)13/h8-9,11H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 4-(2-methylpentan-3-ylamino)butanoic acid?
4-(2-methylpentan-3-ylamino)butanoic acid has a molecular weight of 187.28 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpentan-3-ylamino)butanoic acid is sourced from PubChem (CID 60782798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).