2-[carboxymethyl(phenylmethoxycarbonyl)amino]acetic acid

C12H13NO6 — CID 10107013

IUPAC2-[carboxymethyl(phenylmethoxycarbonyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)OCc1ccccc1
InChIInChI=1S/C12H13NO6/c14-10(15)6-13(7-11(16)17)12(18)19-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,14,15)(H,16,17)
InChIKeyVOABBQIQCAKTIC-UHFFFAOYSA-N
MW267.24 g/mol
LogP0.79
Rot. Bonds6

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

2-[carboxymethyl(phenylmethoxycarbonyl)amino]acetic acid (PubChem CID 10107013) has the molecular formula C12H13NO6 and a molecular weight of 267.24 g/mol. Its IUPAC name is 2-[carboxymethyl(phenylmethoxycarbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(phenylmethoxycarbonyl)amino]acetic acid
PubChem CID10107013
Molecular FormulaC12H13NO6
Molecular Weight267.24 g/mol
Exact Mass267.07
IUPAC Name2-[carboxymethyl(phenylmethoxycarbonyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)OCc1ccccc1
InChIInChI=1S/C12H13NO6/c14-10(15)6-13(7-11(16)17)12(18)19-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,14,15)(H,16,17)
InChIKeyVOABBQIQCAKTIC-UHFFFAOYSA-N
XLogP0.79
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(phenylmethoxycarbonyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(phenylmethoxycarbonyl)amino]acetic acid (CID 10107013) is 2-[carboxymethyl(phenylmethoxycarbonyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(phenylmethoxycarbonyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(phenylmethoxycarbonyl)amino]acetic acid is O=C(O)CN(CC(=O)O)C(=O)OCc1ccccc1.
What is the InChIKey of 2-[carboxymethyl(phenylmethoxycarbonyl)amino]acetic acid?
The InChIKey is VOABBQIQCAKTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO6/c14-10(15)6-13(7-11(16)17)12(18)19-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,14,15)(H,16,17).
What are the key properties of 2-[carboxymethyl(phenylmethoxycarbonyl)amino]acetic acid?
2-[carboxymethyl(phenylmethoxycarbonyl)amino]acetic acid has a molecular weight of 267.24 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(phenylmethoxycarbonyl)amino]acetic acid is sourced from PubChem (CID 10107013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).