2-amino-3-(3-carbamoylphenoxy)propanoic acid

C10H12N2O4 — CID 65442579

IUPAC2-amino-3-(3-carbamoylphenoxy)propanoic acid
SMILESNC(=O)c1cccc(OCC(N)C(=O)O)c1
InChIInChI=1S/C10H12N2O4/c11-8(10(14)15)5-16-7-3-1-2-6(4-7)9(12)13/h1-4,8H,5,11H2,(H2,12,13)(H,14,15)
InChIKeyDYHPGUJTFPITLL-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.42
Rot. Bonds5

About 2-amino-3-(3-carbamoylphenoxy)propanoic acid

2-amino-3-(3-carbamoylphenoxy)propanoic acid (PubChem CID 65442579) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-amino-3-(3-carbamoylphenoxy)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(3-carbamoylphenoxy)propanoic acid
PubChem CID65442579
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name2-amino-3-(3-carbamoylphenoxy)propanoic acid
SMILESNC(=O)c1cccc(OCC(N)C(=O)O)c1
InChIInChI=1S/C10H12N2O4/c11-8(10(14)15)5-16-7-3-1-2-6(4-7)9(12)13/h1-4,8H,5,11H2,(H2,12,13)(H,14,15)
InChIKeyDYHPGUJTFPITLL-UHFFFAOYSA-N
XLogP-0.42
TPSA115.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-amino-2-methyl-3-sulfanylidenepropoxy)benzamide
CID 82147616
methyl 3-(3-carbamoylphenoxy)-2-methylpropanoate
CID 43537890
3-propoxybenzamide
CID 22311435
3-(2-phenylethoxy)benzamide
CID 17135006
3-[2-(3-bromophenyl)-2-hydroxyethoxy]benzamide
CID 109416216
3-[(3-carbamoylphenoxy)methyl]benzoic acid
CID 24710779
3-(10-bromodecoxy)benzamide
CID 59402968
3-(6-bromohexoxy)benzamide
CID 59402930
benzene-1,3-dicarboxamide;(2S)-2,6-diaminohexanoic acid
CID 67324648
benzene-1,3-dicarboxamide;2,6-diaminohexanoic acid
CID 77267129
3-(pyrazol-1-ylmethoxy)benzamide
CID 59403018
3-[(2,3,6-trifluorophenyl)methoxy]benzamide
CID 69123710

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-carbamoylphenoxy)propanoic acid?
The IUPAC name of 2-amino-3-(3-carbamoylphenoxy)propanoic acid (CID 65442579) is 2-amino-3-(3-carbamoylphenoxy)propanoic acid.
What is the SMILES notation for 2-amino-3-(3-carbamoylphenoxy)propanoic acid?
The canonical SMILES for 2-amino-3-(3-carbamoylphenoxy)propanoic acid is NC(=O)c1cccc(OCC(N)C(=O)O)c1.
What is the InChIKey of 2-amino-3-(3-carbamoylphenoxy)propanoic acid?
The InChIKey is DYHPGUJTFPITLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c11-8(10(14)15)5-16-7-3-1-2-6(4-7)9(12)13/h1-4,8H,5,11H2,(H2,12,13)(H,14,15).
What are the key properties of 2-amino-3-(3-carbamoylphenoxy)propanoic acid?
2-amino-3-(3-carbamoylphenoxy)propanoic acid has a molecular weight of 224.22 g/mol, XLogP of -0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-carbamoylphenoxy)propanoic acid is sourced from PubChem (CID 65442579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).