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

C11H13NO5 — CID 23422378

IUPAC2-[carboxymethyl-[(4-hydroxyphenyl)methyl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)Cc1ccc(O)cc1
InChIInChI=1S/C11H13NO5/c13-9-3-1-8(2-4-9)5-12(6-10(14)15)7-11(16)17/h1-4,13H,5-7H2,(H,14,15)(H,16,17)
InChIKeyFOZGHIFOEPYEMF-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.36
Rot. Bonds6

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

2-[carboxymethyl-[(4-hydroxyphenyl)methyl]amino]acetic acid (PubChem CID 23422378) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-[carboxymethyl-[(4-hydroxyphenyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[(4-hydroxyphenyl)methyl]amino]acetic acid
PubChem CID23422378
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Name2-[carboxymethyl-[(4-hydroxyphenyl)methyl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)Cc1ccc(O)cc1
InChIInChI=1S/C11H13NO5/c13-9-3-1-8(2-4-9)5-12(6-10(14)15)7-11(16)17/h1-4,13H,5-7H2,(H,14,15)(H,16,17)
InChIKeyFOZGHIFOEPYEMF-UHFFFAOYSA-N
XLogP0.36
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-hydroxyphenyl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266500
2-[2-[bis(carboxymethyl)amino]ethyl-[[4-[[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]methyl]phenyl]methyl]amino]acetic acid
CID 163523536
2-[(4-hydroxyphenyl)methyl-methylamino]acetic acid
CID 65056465
4-[[bis(carboxymethyl)amino]methyl]benzoic acid
CID 129396565
2-[(4-carbamoylphenyl)methyl-(carboxymethyl)amino]acetic acid
CID 63645116
2-[ethyl-[(4-hydroxyphenyl)methyl]amino]acetamide
CID 88657725
2-(N-carboxy-4-hydroxyanilino)acetic acid
CID 66615587
2-[carboxymethyl-[[4-(difluoromethoxy)phenyl]methyl]amino]acetic acid
CID 65065686
2-[carboxymethyl-[(3,4-difluorophenyl)methyl]amino]acetic acid
CID 65065447
2-[[4-(hydroxymethyl)phenyl]methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 113365882
2-[[2,2-bis[[bis(carboxymethyl)amino]methyl]-3-(dibenzylamino)propyl]-(carboxymethyl)amino]acetic acid
CID 11445219
2-[2-[bis(carboxymethyl)amino]ethyl-[(2S)-2-[bis(carboxymethyl)amino]-3-(4-hydroxyphenyl)propyl]amino]acetic acid
CID 163320783

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[(4-hydroxyphenyl)methyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[(4-hydroxyphenyl)methyl]amino]acetic acid (CID 23422378) is 2-[carboxymethyl-[(4-hydroxyphenyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[(4-hydroxyphenyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[(4-hydroxyphenyl)methyl]amino]acetic acid is O=C(O)CN(CC(=O)O)Cc1ccc(O)cc1.
What is the InChIKey of 2-[carboxymethyl-[(4-hydroxyphenyl)methyl]amino]acetic acid?
The InChIKey is FOZGHIFOEPYEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c13-9-3-1-8(2-4-9)5-12(6-10(14)15)7-11(16)17/h1-4,13H,5-7H2,(H,14,15)(H,16,17).
What are the key properties of 2-[carboxymethyl-[(4-hydroxyphenyl)methyl]amino]acetic acid?
2-[carboxymethyl-[(4-hydroxyphenyl)methyl]amino]acetic acid has a molecular weight of 239.23 g/mol, XLogP of 0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[(4-hydroxyphenyl)methyl]amino]acetic acid is sourced from PubChem (CID 23422378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).