2-[(2-amino-2-phenylpropanoyl)-(carboxymethyl)amino]acetic acid

C13H16N2O5 — CID 63645589

IUPAC2-[(2-amino-2-phenylpropanoyl)-(carboxymethyl)amino]acetic acid
SMILESCC(N)(C(=O)N(CC(=O)O)CC(=O)O)c1ccccc1
InChIInChI=1S/C13H16N2O5/c1-13(14,9-5-3-2-4-6-9)12(20)15(7-10(16)17)8-11(18)19/h2-6H,7-8,14H2,1H3,(H,16,17)(H,18,19)
InChIKeyZZVHURSCSVASIW-UHFFFAOYSA-N
MW280.28 g/mol
LogP-0.14
Rot. Bonds6

About 2-[(2-amino-2-phenylpropanoyl)-(carboxymethyl)amino]acetic acid

2-[(2-amino-2-phenylpropanoyl)-(carboxymethyl)amino]acetic acid (PubChem CID 63645589) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-[(2-amino-2-phenylpropanoyl)-(carboxymethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-phenylpropanoyl)-(carboxymethyl)amino]acetic acid
PubChem CID63645589
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name2-[(2-amino-2-phenylpropanoyl)-(carboxymethyl)amino]acetic acid
SMILESCC(N)(C(=O)N(CC(=O)O)CC(=O)O)c1ccccc1
InChIInChI=1S/C13H16N2O5/c1-13(14,9-5-3-2-4-6-9)12(20)15(7-10(16)17)8-11(18)19/h2-6H,7-8,14H2,1H3,(H,16,17)(H,18,19)
InChIKeyZZVHURSCSVASIW-UHFFFAOYSA-N
XLogP-0.14
TPSA120.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-amino-2-phenylpropanoyl)-cyclopentylamino]acetic acid
CID 62488951
2-amino-N-(2-hydroxyethyl)-2-phenyl-N-propylpropanamide
CID 62487886
2-amino-N-(2-hydroxyethyl)-N-methyl-2-phenylpropanamide
CID 62487713
2-amino-N-(2-methylpropyl)-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide
CID 62488944
(2R)-2-amino-2-phenylpropanoyl chloride
CID 141365713
2-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-phenylpropanamide
CID 62489113
2-amino-N-(3-methoxypropyl)-N-methyl-2-phenylpropanamide;hydrochloride
CID 120590580
2-[(2-methyl-2-phenylpropanoyl)-prop-2-enylamino]acetic acid
CID 79265157
2-amino-N-(3,3-dimethylbutan-2-yl)-N-methyl-2-phenylpropanamide
CID 62487543
2-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-phenylpropanamide
CID 64519424
2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-phenylpropanamide
CID 120591123
ethyl (2S)-2-amino-2-phenylpropanoate
CID 86615568

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-phenylpropanoyl)-(carboxymethyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-phenylpropanoyl)-(carboxymethyl)amino]acetic acid (CID 63645589) is 2-[(2-amino-2-phenylpropanoyl)-(carboxymethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-phenylpropanoyl)-(carboxymethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-phenylpropanoyl)-(carboxymethyl)amino]acetic acid is CC(N)(C(=O)N(CC(=O)O)CC(=O)O)c1ccccc1.
What is the InChIKey of 2-[(2-amino-2-phenylpropanoyl)-(carboxymethyl)amino]acetic acid?
The InChIKey is ZZVHURSCSVASIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-13(14,9-5-3-2-4-6-9)12(20)15(7-10(16)17)8-11(18)19/h2-6H,7-8,14H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(2-amino-2-phenylpropanoyl)-(carboxymethyl)amino]acetic acid?
2-[(2-amino-2-phenylpropanoyl)-(carboxymethyl)amino]acetic acid has a molecular weight of 280.28 g/mol, XLogP of -0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-phenylpropanoyl)-(carboxymethyl)amino]acetic acid is sourced from PubChem (CID 63645589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).