4-[2-ethylhexylcarbamoyl(methyl)amino]butanoic acid

C14H28N2O3 — CID 107817325

IUPAC4-[2-ethylhexylcarbamoyl(methyl)amino]butanoic acid
SMILESCCCCC(CC)CNC(=O)N(C)CCCC(=O)O
InChIInChI=1S/C14H28N2O3/c1-4-6-8-12(5-2)11-15-14(19)16(3)10-7-9-13(17)18/h12H,4-11H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyHTEIVVUDOUNZJE-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.71
Rot. Bonds10

About 4-[2-ethylhexylcarbamoyl(methyl)amino]butanoic acid

4-[2-ethylhexylcarbamoyl(methyl)amino]butanoic acid (PubChem CID 107817325) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-[2-ethylhexylcarbamoyl(methyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[2-ethylhexylcarbamoyl(methyl)amino]butanoic acid
PubChem CID107817325
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name4-[2-ethylhexylcarbamoyl(methyl)amino]butanoic acid
SMILESCCCCC(CC)CNC(=O)N(C)CCCC(=O)O
InChIInChI=1S/C14H28N2O3/c1-4-6-8-12(5-2)11-15-14(19)16(3)10-7-9-13(17)18/h12H,4-11H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyHTEIVVUDOUNZJE-UHFFFAOYSA-N
XLogP2.71
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[2-ethylhexylcarbamoyl(methyl)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

5-(2-ethylhexylamino)-5-oxopentanoic acid
CID 4181990
4-[methyl(2-methylpropylcarbamoyl)amino]butanoic acid
CID 43151937
2-[2-ethylhexylcarbamoyl(propyl)amino]acetic acid
CID 114004349
2-[[[butyl(methyl)carbamoyl]amino]methyl]butanoic acid
CID 65219387
butanedioic acid;N-(2-ethylhexyl)-3-hydroxybutanamide
CID 23615613
9-ethyloctadecanoic acid
CID 11045212
7-ethyldodecanoic acid
CID 5282689
3-[[butyl(methyl)carbamoyl]amino]-2-hydroxypropanoic acid
CID 66166113
2-[2-ethylhexylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 103995571
4-[[methyl(propyl)carbamoyl]amino]butanoic acid
CID 61195680
4-[3-ethylpentanoyl(methyl)amino]butanoic acid
CID 119347002
2-[[butyl(methyl)carbamoyl]amino]acetic acid
CID 28507820

Frequently Asked Questions

What is the IUPAC name of 4-[2-ethylhexylcarbamoyl(methyl)amino]butanoic acid?
The IUPAC name of 4-[2-ethylhexylcarbamoyl(methyl)amino]butanoic acid (CID 107817325) is 4-[2-ethylhexylcarbamoyl(methyl)amino]butanoic acid.
What is the SMILES notation for 4-[2-ethylhexylcarbamoyl(methyl)amino]butanoic acid?
The canonical SMILES for 4-[2-ethylhexylcarbamoyl(methyl)amino]butanoic acid is CCCCC(CC)CNC(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[2-ethylhexylcarbamoyl(methyl)amino]butanoic acid?
The InChIKey is HTEIVVUDOUNZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-4-6-8-12(5-2)11-15-14(19)16(3)10-7-9-13(17)18/h12H,4-11H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 4-[2-ethylhexylcarbamoyl(methyl)amino]butanoic acid?
4-[2-ethylhexylcarbamoyl(methyl)amino]butanoic acid has a molecular weight of 272.39 g/mol, XLogP of 2.71, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-ethylhexylcarbamoyl(methyl)amino]butanoic acid is sourced from PubChem (CID 107817325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).