3-amino-4-oxo-4-[(4-propylphenyl)methylamino]butanoic acid

C14H20N2O3 — CID 115181300

IUPAC3-amino-4-oxo-4-[(4-propylphenyl)methylamino]butanoic acid
SMILESCCCc1ccc(CNC(=O)C(N)CC(=O)O)cc1
InChIInChI=1S/C14H20N2O3/c1-2-3-10-4-6-11(7-5-10)9-16-14(19)12(15)8-13(17)18/h4-7,12H,2-3,8-9,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyPREAWDXRRDHCRB-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.06
Rot. Bonds7

About 3-amino-4-oxo-4-[(4-propylphenyl)methylamino]butanoic acid

3-amino-4-oxo-4-[(4-propylphenyl)methylamino]butanoic acid (PubChem CID 115181300) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-amino-4-oxo-4-[(4-propylphenyl)methylamino]butanoic acid.

Molecular Properties

Compound Name3-amino-4-oxo-4-[(4-propylphenyl)methylamino]butanoic acid
PubChem CID115181300
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-amino-4-oxo-4-[(4-propylphenyl)methylamino]butanoic acid
SMILESCCCc1ccc(CNC(=O)C(N)CC(=O)O)cc1
InChIInChI=1S/C14H20N2O3/c1-2-3-10-4-6-11(7-5-10)9-16-14(19)12(15)8-13(17)18/h4-7,12H,2-3,8-9,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyPREAWDXRRDHCRB-UHFFFAOYSA-N
XLogP1.06
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-oxo-4-[(4-propylphenyl)methylamino]butanoic acid
CID 115164577
3-amino-4-[(4-methoxycarbonylphenyl)methylamino]-4-oxobutanoic acid
CID 64896534
2-amino-N-benzylpentanamide
CID 11020044
3-oxo-3-[(4-propylphenyl)methylamino]propanoic acid
CID 115163381
3-amino-4-[2-(4-methoxyphenyl)ethylamino]-4-oxobutanoic acid
CID 18330162
(2S)-2-amino-N-[(4-propan-2-ylphenyl)methyl]pentanamide
CID 107569508
(3R)-3-amino-3-(4-propylphenyl)propanoic acid
CID 95997919
2-[[2-amino-4-[(4-butylphenyl)methylamino]-4-oxobutanoyl]amino]propanoic acid
CID 10405541
2-amino-N-[(4-methylsulfanylphenyl)methyl]pentanamide;hydrochloride
CID 119302802
3-amino-4-[4-(4-hydroxyphenyl)butan-2-ylamino]-4-oxobutanoic acid
CID 64896095
(2S)-2-amino-N-[(4-hydroxyphenyl)methyl]hexanamide
CID 67015275
3-amino-4-[(1-methylpyrazol-4-yl)methylamino]-4-oxobutanoic acid
CID 64895759

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-oxo-4-[(4-propylphenyl)methylamino]butanoic acid?
The IUPAC name of 3-amino-4-oxo-4-[(4-propylphenyl)methylamino]butanoic acid (CID 115181300) is 3-amino-4-oxo-4-[(4-propylphenyl)methylamino]butanoic acid.
What is the SMILES notation for 3-amino-4-oxo-4-[(4-propylphenyl)methylamino]butanoic acid?
The canonical SMILES for 3-amino-4-oxo-4-[(4-propylphenyl)methylamino]butanoic acid is CCCc1ccc(CNC(=O)C(N)CC(=O)O)cc1.
What is the InChIKey of 3-amino-4-oxo-4-[(4-propylphenyl)methylamino]butanoic acid?
The InChIKey is PREAWDXRRDHCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-3-10-4-6-11(7-5-10)9-16-14(19)12(15)8-13(17)18/h4-7,12H,2-3,8-9,15H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 3-amino-4-oxo-4-[(4-propylphenyl)methylamino]butanoic acid?
3-amino-4-oxo-4-[(4-propylphenyl)methylamino]butanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.06, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-oxo-4-[(4-propylphenyl)methylamino]butanoic acid is sourced from PubChem (CID 115181300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).