2-[benzyl-[methoxy(phenyl)methyl]amino]acetic acid

C17H19NO3 — CID 174418902

IUPAC2-[benzyl-[methoxy(phenyl)methyl]amino]acetic acid
SMILESCOC(c1ccccc1)N(CC(=O)O)Cc1ccccc1
InChIInChI=1S/C17H19NO3/c1-21-17(15-10-6-3-7-11-15)18(13-16(19)20)12-14-8-4-2-5-9-14/h2-11,17H,12-13H2,1H3,(H,19,20)
InChIKeyRSRZPBSKUBGPAV-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.92
Rot. Bonds7

About 2-[benzyl-[methoxy(phenyl)methyl]amino]acetic acid

2-[benzyl-[methoxy(phenyl)methyl]amino]acetic acid (PubChem CID 174418902) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[benzyl-[methoxy(phenyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[benzyl-[methoxy(phenyl)methyl]amino]acetic acid
PubChem CID174418902
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2-[benzyl-[methoxy(phenyl)methyl]amino]acetic acid
SMILESCOC(c1ccccc1)N(CC(=O)O)Cc1ccccc1
InChIInChI=1S/C17H19NO3/c1-21-17(15-10-6-3-7-11-15)18(13-16(19)20)12-14-8-4-2-5-9-14/h2-11,17H,12-13H2,1H3,(H,19,20)
InChIKeyRSRZPBSKUBGPAV-UHFFFAOYSA-N
XLogP2.92
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-[methoxy(phenyl)methyl]acetamide
CID 102127516
2-[(2-methoxy-2-phenylacetyl)-methylamino]acetic acid
CID 62098562
(3R)-3-[bis(carboxymethyl)amino]-3-phenylpropanoic acid
CID 7375300
methyl (2S)-2-[(R)-(dibenzylamino)-phenylmethyl]pent-4-enoate
CID 139191551
3-[benzyl-(2-methoxy-2-oxoethyl)amino]butanoic acid
CID 70081456
(2R)-2-(dibenzylamino)butanoic acid
CID 141083038
2-[propan-2-yl-[(4-propan-2-ylphenyl)methyl]amino]acetic acid
CID 39352014
methyl (2S)-2-(dibenzylamino)-4-methylpentanoate
CID 54055592
(2R)-2-(dibenzylamino)propanoic acid
CID 10754456
(3S)-3-(dibenzylamino)-4-phenylbutan-2-one
CID 10925962
3-(dibenzylamino)-4-methylhexane-2,5-dione
CID 135163861
2-[benzyl(2-phenylbutanoyl)amino]acetic acid
CID 120606600

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[methoxy(phenyl)methyl]amino]acetic acid?
The IUPAC name of 2-[benzyl-[methoxy(phenyl)methyl]amino]acetic acid (CID 174418902) is 2-[benzyl-[methoxy(phenyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[benzyl-[methoxy(phenyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[benzyl-[methoxy(phenyl)methyl]amino]acetic acid is COC(c1ccccc1)N(CC(=O)O)Cc1ccccc1.
What is the InChIKey of 2-[benzyl-[methoxy(phenyl)methyl]amino]acetic acid?
The InChIKey is RSRZPBSKUBGPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-21-17(15-10-6-3-7-11-15)18(13-16(19)20)12-14-8-4-2-5-9-14/h2-11,17H,12-13H2,1H3,(H,19,20).
What are the key properties of 2-[benzyl-[methoxy(phenyl)methyl]amino]acetic acid?
2-[benzyl-[methoxy(phenyl)methyl]amino]acetic acid has a molecular weight of 285.34 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[methoxy(phenyl)methyl]amino]acetic acid is sourced from PubChem (CID 174418902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).