2-[carboxymethyl(3-phenoxypropyl)amino]acetic acid

C13H17NO5 — CID 63644970

IUPAC2-[carboxymethyl(3-phenoxypropyl)amino]acetic acid
SMILESO=C(O)CN(CCCOc1ccccc1)CC(=O)O
InChIInChI=1S/C13H17NO5/c15-12(16)9-14(10-13(17)18)7-4-8-19-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,15,16)(H,17,18)
InChIKeyFXTCGMCWDLSDKU-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.93
Rot. Bonds9

About 2-[carboxymethyl(3-phenoxypropyl)amino]acetic acid

2-[carboxymethyl(3-phenoxypropyl)amino]acetic acid (PubChem CID 63644970) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[carboxymethyl(3-phenoxypropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(3-phenoxypropyl)amino]acetic acid
PubChem CID63644970
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name2-[carboxymethyl(3-phenoxypropyl)amino]acetic acid
SMILESO=C(O)CN(CCCOc1ccccc1)CC(=O)O
InChIInChI=1S/C13H17NO5/c15-12(16)9-14(10-13(17)18)7-4-8-19-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,15,16)(H,17,18)
InChIKeyFXTCGMCWDLSDKU-UHFFFAOYSA-N
XLogP0.93
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[carboxymethyl(3-phenoxypropyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-methylpropyl(3-phenoxypropyl)amino]acetic acid
CID 63064164
2-[methyl(2-phenoxyethyl)amino]acetic acid;hydrochloride
CID 170904752
N-methyl-N-(3-phenoxypropyl)acetamide
CID 60757278
2-[3-(4-chlorophenoxy)propyl-prop-2-enylamino]acetic acid
CID 79275482
9-phenoxynonanoic acid
CID 15887638
2-[2-(4-phenoxybutoxy)phenyl]acetic acid
CID 154276164
3-[methyl-[3-(4-phenoxyphenoxy)propyl]amino]propanoic acid
CID 11823669
2-[carboxymethyl-[2-(2-chlorophenoxy)ethyl]amino]acetic acid
CID 63646826
2-methyl-2-[methyl(3-phenoxypropyl)amino]propanoic acid
CID 62820736
2-[ethyl(methyl)amino]-N-methyl-N-(3-phenoxypropyl)-2-phenylacetamide
CID 56510183
1-[4-[3-(diethylamino)propoxy]phenyl]-2-phenylpropan-1-one
CID 155387268
manganese;3-phenoxypropanoic acid;zirconium
CID 175105332

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(3-phenoxypropyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(3-phenoxypropyl)amino]acetic acid (CID 63644970) is 2-[carboxymethyl(3-phenoxypropyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(3-phenoxypropyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(3-phenoxypropyl)amino]acetic acid is O=C(O)CN(CCCOc1ccccc1)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl(3-phenoxypropyl)amino]acetic acid?
The InChIKey is FXTCGMCWDLSDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c15-12(16)9-14(10-13(17)18)7-4-8-19-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,15,16)(H,17,18).
What are the key properties of 2-[carboxymethyl(3-phenoxypropyl)amino]acetic acid?
2-[carboxymethyl(3-phenoxypropyl)amino]acetic acid has a molecular weight of 267.28 g/mol, XLogP of 0.93, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(3-phenoxypropyl)amino]acetic acid is sourced from PubChem (CID 63644970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).