3-amino-3-(4-carbamoylphenyl)propanoic acid

C10H12N2O3 — CID 84675902

IUPAC3-amino-3-(4-carbamoylphenyl)propanoic acid
SMILESNC(=O)c1ccc(C(N)CC(=O)O)cc1
InChIInChI=1S/C10H12N2O3/c11-8(5-9(13)14)6-1-3-7(4-2-6)10(12)15/h1-4,8H,5,11H2,(H2,12,15)(H,13,14)
InChIKeyDDNDWUKGZFVKNL-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.26
Rot. Bonds4

About 3-amino-3-(4-carbamoylphenyl)propanoic acid

3-amino-3-(4-carbamoylphenyl)propanoic acid (PubChem CID 84675902) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 3-amino-3-(4-carbamoylphenyl)propanoic acid.

Molecular Properties

Compound Name3-amino-3-(4-carbamoylphenyl)propanoic acid
PubChem CID84675902
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name3-amino-3-(4-carbamoylphenyl)propanoic acid
SMILESNC(=O)c1ccc(C(N)CC(=O)O)cc1
InChIInChI=1S/C10H12N2O3/c11-8(5-9(13)14)6-1-3-7(4-2-6)10(12)15/h1-4,8H,5,11H2,(H2,12,15)(H,13,14)
InChIKeyDDNDWUKGZFVKNL-UHFFFAOYSA-N
XLogP0.26
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-amino-3-[4-(difluoromethyl)phenyl]propanoic acid
CID 79016031
3-amino-3-(4-chlorophenyl)propanoic acid;azane
CID 175752194
(3R)-3-amino-3-[4-(methylamino)phenyl]propanoic acid
CID 130649436
(3R)-3-amino-3-(4-ethynylphenyl)propanoic acid
CID 130649831
(3R)-3-amino-3-(4-propylphenyl)propanoic acid
CID 95997919
(3S)-3-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 24832880
(3S)-3-amino-3-(4-pyridin-4-ylphenyl)propanoic acid
CID 124679314
(3R)-3-amino-3-[4-(2-methylpropyl)phenyl]propanoic acid
CID 940967
3-amino-3-[4-(3-hydroxypropyl)phenyl]propanoic acid
CID 117115833
3-amino-3-(4-pyrrolidin-1-ylphenyl)propanoic acid
CID 53417398
(3R)-3-amino-3-(3,4-dimethoxyphenyl)propanoic acid
CID 670404
3-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid
CID 82366864

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4-carbamoylphenyl)propanoic acid?
The IUPAC name of 3-amino-3-(4-carbamoylphenyl)propanoic acid (CID 84675902) is 3-amino-3-(4-carbamoylphenyl)propanoic acid.
What is the SMILES notation for 3-amino-3-(4-carbamoylphenyl)propanoic acid?
The canonical SMILES for 3-amino-3-(4-carbamoylphenyl)propanoic acid is NC(=O)c1ccc(C(N)CC(=O)O)cc1.
What is the InChIKey of 3-amino-3-(4-carbamoylphenyl)propanoic acid?
The InChIKey is DDNDWUKGZFVKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c11-8(5-9(13)14)6-1-3-7(4-2-6)10(12)15/h1-4,8H,5,11H2,(H2,12,15)(H,13,14).
What are the key properties of 3-amino-3-(4-carbamoylphenyl)propanoic acid?
3-amino-3-(4-carbamoylphenyl)propanoic acid has a molecular weight of 208.22 g/mol, XLogP of 0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(4-carbamoylphenyl)propanoic acid is sourced from PubChem (CID 84675902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).