4-[(4-carbamoylphenyl)methyl-methylamino]butanoic acid

C13H18N2O3 — CID 55005830

IUPAC4-[(4-carbamoylphenyl)methyl-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C13H18N2O3/c1-15(8-2-3-12(16)17)9-10-4-6-11(7-5-10)13(14)18/h4-7H,2-3,8-9H2,1H3,(H2,14,18)(H,16,17)
InChIKeyFAQQGKDYARFXMA-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.08
Rot. Bonds7

About 4-[(4-carbamoylphenyl)methyl-methylamino]butanoic acid

4-[(4-carbamoylphenyl)methyl-methylamino]butanoic acid (PubChem CID 55005830) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-[(4-carbamoylphenyl)methyl-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[(4-carbamoylphenyl)methyl-methylamino]butanoic acid
PubChem CID55005830
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name4-[(4-carbamoylphenyl)methyl-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C13H18N2O3/c1-15(8-2-3-12(16)17)9-10-4-6-11(7-5-10)13(14)18/h4-7H,2-3,8-9H2,1H3,(H2,14,18)(H,16,17)
InChIKeyFAQQGKDYARFXMA-UHFFFAOYSA-N
XLogP1.08
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-hydroxyphenyl)methyl-methylamino]butanoic acid
CID 65068076
4-[[(4-fluorophenyl)methyl-methylamino]methyl]benzamide
CID 47129744
4-[[4-(2-amino-2-oxoethoxy)phenyl]methyl-methylamino]butanoic acid
CID 65068126
4-[(4-carbamoylphenyl)methyl-cyclopropylamino]butanoic acid
CID 119134489
5-[benzyl(methyl)amino]pentanoic acid
CID 28972352
4-[[8-(4-carbamoylanilino)-8-oxooctyl]-methylamino]butanoic acid
CID 91585765
4-[(3,4-dimethoxyphenyl)methyl-methylamino]butanoic acid
CID 39366066
4-N-[3-[benzyl(methyl)amino]propyl]benzene-1,4-dicarboxamide
CID 41306684
4-[(4-chlorophenyl)methyl-methylamino]butanamide
CID 14627807
3-[4-[[butyl(methyl)amino]methyl]phenyl]propanoic acid
CID 84758649
4-[benzyl(methyl)amino]-1-[4-[4-[benzyl(methyl)amino]butanoyl]phenyl]butan-1-one;dihydrochloride
CID 52997459
2-[(4-carbamoylphenyl)methyl-(carboxymethyl)amino]acetic acid
CID 63645116

Frequently Asked Questions

What is the IUPAC name of 4-[(4-carbamoylphenyl)methyl-methylamino]butanoic acid?
The IUPAC name of 4-[(4-carbamoylphenyl)methyl-methylamino]butanoic acid (CID 55005830) is 4-[(4-carbamoylphenyl)methyl-methylamino]butanoic acid.
What is the SMILES notation for 4-[(4-carbamoylphenyl)methyl-methylamino]butanoic acid?
The canonical SMILES for 4-[(4-carbamoylphenyl)methyl-methylamino]butanoic acid is CN(CCCC(=O)O)Cc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(4-carbamoylphenyl)methyl-methylamino]butanoic acid?
The InChIKey is FAQQGKDYARFXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-15(8-2-3-12(16)17)9-10-4-6-11(7-5-10)13(14)18/h4-7H,2-3,8-9H2,1H3,(H2,14,18)(H,16,17).
What are the key properties of 4-[(4-carbamoylphenyl)methyl-methylamino]butanoic acid?
4-[(4-carbamoylphenyl)methyl-methylamino]butanoic acid has a molecular weight of 250.30 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-carbamoylphenyl)methyl-methylamino]butanoic acid is sourced from PubChem (CID 55005830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).