2-[4-(furan-2-yl)butan-2-ylamino]butanoic acid

C12H19NO3 — CID 64669169

IUPAC2-[4-(furan-2-yl)butan-2-ylamino]butanoic acid
SMILESCCC(NC(C)CCc1ccco1)C(=O)O
InChIInChI=1S/C12H19NO3/c1-3-11(12(14)15)13-9(2)6-7-10-5-4-8-16-10/h4-5,8-9,11,13H,3,6-7H2,1-2H3,(H,14,15)
InChIKeyWNSBEQGPMPHICU-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.05
Rot. Bonds7

About 2-[4-(furan-2-yl)butan-2-ylamino]butanoic acid

2-[4-(furan-2-yl)butan-2-ylamino]butanoic acid (PubChem CID 64669169) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[4-(furan-2-yl)butan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name2-[4-(furan-2-yl)butan-2-ylamino]butanoic acid
PubChem CID64669169
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-[4-(furan-2-yl)butan-2-ylamino]butanoic acid
SMILESCCC(NC(C)CCc1ccco1)C(=O)O
InChIInChI=1S/C12H19NO3/c1-3-11(12(14)15)13-9(2)6-7-10-5-4-8-16-10/h4-5,8-9,11,13H,3,6-7H2,1-2H3,(H,14,15)
InChIKeyWNSBEQGPMPHICU-UHFFFAOYSA-N
XLogP2.05
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-(furan-2-yl)butan-2-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

ethyl 2-[4-(furan-2-yl)butan-2-ylamino]pentanoate
CID 83042042
2-(4-phenylbutan-2-ylamino)butanoic acid
CID 64669361
1-ethyl-3-[4-(furan-2-yl)butan-2-yl]urea
CID 115571916
5-(furan-2-yl)-2-methylpentanoic acid
CID 82075109
2-[4-(furan-2-yl)butan-2-ylamino]-N,4-dimethylpentanamide
CID 43750748
3-ethyl-N-[4-(furan-2-yl)butan-2-yl]pentan-2-amine
CID 63842275
2-[4-(furan-2-yl)butan-2-ylcarbamoyl-methylamino]propanoic acid
CID 55096590
N-ethyl-2-[4-(furan-2-yl)butan-2-ylamino]acetamide
CID 43401748
2-[1-(furan-2-yl)propan-2-ylamino]butanamide
CID 62899658
ethyl N-[4-(furan-2-yl)butan-2-yl]carbamate
CID 60651451
N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)acetamide
CID 61249906
N-[4-(furan-2-yl)butan-2-yl]-3-oxobutanamide
CID 61251024

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-yl)butan-2-ylamino]butanoic acid?
The IUPAC name of 2-[4-(furan-2-yl)butan-2-ylamino]butanoic acid (CID 64669169) is 2-[4-(furan-2-yl)butan-2-ylamino]butanoic acid.
What is the SMILES notation for 2-[4-(furan-2-yl)butan-2-ylamino]butanoic acid?
The canonical SMILES for 2-[4-(furan-2-yl)butan-2-ylamino]butanoic acid is CCC(NC(C)CCc1ccco1)C(=O)O.
What is the InChIKey of 2-[4-(furan-2-yl)butan-2-ylamino]butanoic acid?
The InChIKey is WNSBEQGPMPHICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-3-11(12(14)15)13-9(2)6-7-10-5-4-8-16-10/h4-5,8-9,11,13H,3,6-7H2,1-2H3,(H,14,15).
What are the key properties of 2-[4-(furan-2-yl)butan-2-ylamino]butanoic acid?
2-[4-(furan-2-yl)butan-2-ylamino]butanoic acid has a molecular weight of 225.29 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-yl)butan-2-ylamino]butanoic acid is sourced from PubChem (CID 64669169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).