4-[ethyl(propan-2-yl)amino]butanoic acid

C9H19NO2 — CID 21027684

IUPAC4-[ethyl(propan-2-yl)amino]butanoic acid
SMILESCCN(CCCC(=O)O)C(C)C
InChIInChI=1S/C9H19NO2/c1-4-10(8(2)3)7-5-6-9(11)12/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyZFCHHTDNCYXPFV-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.58
Rot. Bonds6

About 4-[ethyl(propan-2-yl)amino]butanoic acid

4-[ethyl(propan-2-yl)amino]butanoic acid (PubChem CID 21027684) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 4-[ethyl(propan-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-[ethyl(propan-2-yl)amino]butanoic acid
PubChem CID21027684
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name4-[ethyl(propan-2-yl)amino]butanoic acid
SMILESCCN(CCCC(=O)O)C(C)C
InChIInChI=1S/C9H19NO2/c1-4-10(8(2)3)7-5-6-9(11)12/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyZFCHHTDNCYXPFV-UHFFFAOYSA-N
XLogP1.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[ethyl(propan-2-yl)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

4-[octyl(propan-2-yl)amino]butanoic acid
CID 60833622
4-[2-methylbutyl(propan-2-yl)amino]butanoic acid
CID 62105886
4-[[2-(diethylamino)-2-oxoethyl]-propan-2-ylamino]butanoic acid
CID 60834108
4-[[ethyl(propan-2-yl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61195639
4-[(3-methyl-2-propan-2-ylbutyl)-propan-2-ylamino]butanoic acid
CID 114282079
4-[2-methylpentyl(propan-2-yl)amino]butanoic acid
CID 62265559
4-[propan-2-yl-[propan-2-yl(propyl)carbamoyl]amino]butanoic acid
CID 61196397
N-ethyl-4-[ethyl(propan-2-yl)amino]-N-methylbutanamide
CID 146482077
4-[[3-(methylamino)-3-oxopropyl]-propan-2-ylamino]butanoic acid
CID 62324292
4-[ethyl(propan-2-yl)amino]butanehydrazide
CID 63573828
4-[pent-3-ynyl(propan-2-yl)amino]butanoic acid
CID 104808716
3-[3-ethylsulfonylpropyl(propan-2-yl)amino]propanoic acid
CID 65097829

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(propan-2-yl)amino]butanoic acid?
The IUPAC name of 4-[ethyl(propan-2-yl)amino]butanoic acid (CID 21027684) is 4-[ethyl(propan-2-yl)amino]butanoic acid.
What is the SMILES notation for 4-[ethyl(propan-2-yl)amino]butanoic acid?
The canonical SMILES for 4-[ethyl(propan-2-yl)amino]butanoic acid is CCN(CCCC(=O)O)C(C)C.
What is the InChIKey of 4-[ethyl(propan-2-yl)amino]butanoic acid?
The InChIKey is ZFCHHTDNCYXPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-10(8(2)3)7-5-6-9(11)12/h8H,4-7H2,1-3H3,(H,11,12).
What are the key properties of 4-[ethyl(propan-2-yl)amino]butanoic acid?
4-[ethyl(propan-2-yl)amino]butanoic acid has a molecular weight of 173.26 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(propan-2-yl)amino]butanoic acid is sourced from PubChem (CID 21027684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).