2-[(4-carbamoylphenyl)methyl-(carboxymethyl)amino]acetic acid

C12H14N2O5 — CID 63645116

IUPAC2-[(4-carbamoylphenyl)methyl-(carboxymethyl)amino]acetic acid
SMILESNC(=O)c1ccc(CN(CC(=O)O)CC(=O)O)cc1
InChIInChI=1S/C12H14N2O5/c13-12(19)9-3-1-8(2-4-9)5-14(6-10(15)16)7-11(17)18/h1-4H,5-7H2,(H2,13,19)(H,15,16)(H,17,18)
InChIKeyQXENKCMPGVFMAW-UHFFFAOYSA-N
MW266.25 g/mol
LogP-0.24
Rot. Bonds7

About 2-[(4-carbamoylphenyl)methyl-(carboxymethyl)amino]acetic acid

2-[(4-carbamoylphenyl)methyl-(carboxymethyl)amino]acetic acid (PubChem CID 63645116) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is 2-[(4-carbamoylphenyl)methyl-(carboxymethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-carbamoylphenyl)methyl-(carboxymethyl)amino]acetic acid
PubChem CID63645116
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name2-[(4-carbamoylphenyl)methyl-(carboxymethyl)amino]acetic acid
SMILESNC(=O)c1ccc(CN(CC(=O)O)CC(=O)O)cc1
InChIInChI=1S/C12H14N2O5/c13-12(19)9-3-1-8(2-4-9)5-14(6-10(15)16)7-11(17)18/h1-4H,5-7H2,(H2,13,19)(H,15,16)(H,17,18)
InChIKeyQXENKCMPGVFMAW-UHFFFAOYSA-N
XLogP-0.24
TPSA120.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[bis(carboxymethyl)amino]methyl]benzoic acid
CID 129396565
2-[2-[bis(carboxymethyl)amino]ethyl-[[4-[[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]methyl]phenyl]methyl]amino]acetic acid
CID 163523536
2-[carboxymethyl-[(4-hydroxyphenyl)methyl]amino]acetic acid
CID 23422378
4-[(4-carbamoylphenyl)methyl-methylamino]butanoic acid
CID 55005830
4-[2-(4-carbamoylphenyl)ethyl]benzamide
CID 14507735
2-[carboxymethyl-[[4-(difluoromethoxy)phenyl]methyl]amino]acetic acid
CID 65065686
2-[(4-methoxycarbonylphenyl)methyl-propylamino]acetic acid
CID 65064783
4-[[(4-fluorophenyl)methyl-methylamino]methyl]benzamide
CID 47129744
[4-(aminomethyl)phenyl]methanamine;benzene-1,4-dicarboxamide
CID 68644964
2-[(2-nitroso-2-oxoethyl)-[(4-prop-1-en-2-ylphenyl)methyl]amino]acetic acid
CID 89351390
2-[[2-(4-carbamoylanilino)-2-oxoethyl]-ethylamino]acetic acid
CID 61012683
3-[(4-carbamoylphenyl)methyl-cyclopropylamino]propanoic acid
CID 60840216

Frequently Asked Questions

What is the IUPAC name of 2-[(4-carbamoylphenyl)methyl-(carboxymethyl)amino]acetic acid?
The IUPAC name of 2-[(4-carbamoylphenyl)methyl-(carboxymethyl)amino]acetic acid (CID 63645116) is 2-[(4-carbamoylphenyl)methyl-(carboxymethyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-carbamoylphenyl)methyl-(carboxymethyl)amino]acetic acid?
The canonical SMILES for 2-[(4-carbamoylphenyl)methyl-(carboxymethyl)amino]acetic acid is NC(=O)c1ccc(CN(CC(=O)O)CC(=O)O)cc1.
What is the InChIKey of 2-[(4-carbamoylphenyl)methyl-(carboxymethyl)amino]acetic acid?
The InChIKey is QXENKCMPGVFMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c13-12(19)9-3-1-8(2-4-9)5-14(6-10(15)16)7-11(17)18/h1-4H,5-7H2,(H2,13,19)(H,15,16)(H,17,18).
What are the key properties of 2-[(4-carbamoylphenyl)methyl-(carboxymethyl)amino]acetic acid?
2-[(4-carbamoylphenyl)methyl-(carboxymethyl)amino]acetic acid has a molecular weight of 266.25 g/mol, XLogP of -0.24, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-carbamoylphenyl)methyl-(carboxymethyl)amino]acetic acid is sourced from PubChem (CID 63645116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).