3-[4-[3-(ethylamino)butanoylamino]phenyl]butanoic acid

C16H24N2O3 — CID 104503048

IUPAC3-[4-[3-(ethylamino)butanoylamino]phenyl]butanoic acid
SMILESCCNC(C)CC(=O)Nc1ccc(C(C)CC(=O)O)cc1
InChIInChI=1S/C16H24N2O3/c1-4-17-12(3)10-15(19)18-14-7-5-13(6-8-14)11(2)9-16(20)21/h5-8,11-12,17H,4,9-10H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyKTIUVMPHHSYLHS-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.59
Rot. Bonds8

About 3-[4-[3-(ethylamino)butanoylamino]phenyl]butanoic acid

3-[4-[3-(ethylamino)butanoylamino]phenyl]butanoic acid (PubChem CID 104503048) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[4-[3-(ethylamino)butanoylamino]phenyl]butanoic acid.

Molecular Properties

Compound Name3-[4-[3-(ethylamino)butanoylamino]phenyl]butanoic acid
PubChem CID104503048
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-[4-[3-(ethylamino)butanoylamino]phenyl]butanoic acid
SMILESCCNC(C)CC(=O)Nc1ccc(C(C)CC(=O)O)cc1
InChIInChI=1S/C16H24N2O3/c1-4-17-12(3)10-15(19)18-14-7-5-13(6-8-14)11(2)9-16(20)21/h5-8,11-12,17H,4,9-10H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyKTIUVMPHHSYLHS-UHFFFAOYSA-N
XLogP2.59
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(pentanoylamino)phenyl]butanoic acid
CID 113419992
4-[3-(ethylamino)butanoylamino]-N-propan-2-ylbenzamide
CID 62838667
(E)-3-[4-[3-(ethylamino)butanoylamino]phenyl]prop-2-enoic acid
CID 115342286
4-[3-(ethylamino)butanoylamino]-N-methylbenzamide
CID 62837204
3-(ethylamino)-N-(4-propan-2-yloxyphenyl)butanamide
CID 62838247
3-[4-[(2-propoxyacetyl)amino]phenyl]butanoic acid
CID 107938328
3-[4-(2-ethylbutanoylamino)phenyl]butanoic acid
CID 104501817
3-[4-(3-methoxypropanoylamino)phenyl]butanoic acid
CID 113419998
N-[4-[3-(ethylamino)butanoylamino]phenyl]cyclopropanecarboxamide
CID 62839619
3-[4-(diethylcarbamoylamino)phenyl]butanoic acid
CID 104501853
N,3-bis(4-methylphenyl)butanamide
CID 2750905
(3R)-N,3-bis(4-methylphenyl)butanamide
CID 7054484

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(ethylamino)butanoylamino]phenyl]butanoic acid?
The IUPAC name of 3-[4-[3-(ethylamino)butanoylamino]phenyl]butanoic acid (CID 104503048) is 3-[4-[3-(ethylamino)butanoylamino]phenyl]butanoic acid.
What is the SMILES notation for 3-[4-[3-(ethylamino)butanoylamino]phenyl]butanoic acid?
The canonical SMILES for 3-[4-[3-(ethylamino)butanoylamino]phenyl]butanoic acid is CCNC(C)CC(=O)Nc1ccc(C(C)CC(=O)O)cc1.
What is the InChIKey of 3-[4-[3-(ethylamino)butanoylamino]phenyl]butanoic acid?
The InChIKey is KTIUVMPHHSYLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-17-12(3)10-15(19)18-14-7-5-13(6-8-14)11(2)9-16(20)21/h5-8,11-12,17H,4,9-10H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 3-[4-[3-(ethylamino)butanoylamino]phenyl]butanoic acid?
3-[4-[3-(ethylamino)butanoylamino]phenyl]butanoic acid has a molecular weight of 292.38 g/mol, XLogP of 2.59, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(ethylamino)butanoylamino]phenyl]butanoic acid is sourced from PubChem (CID 104503048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).