3-[acetyl(phenylmethoxy)amino]propanoic acid

C12H15NO4 — CID 10060062

IUPAC3-[acetyl(phenylmethoxy)amino]propanoic acid
SMILESCC(=O)N(CCC(=O)O)OCc1ccccc1
InChIInChI=1S/C12H15NO4/c1-10(14)13(8-7-12(15)16)17-9-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H,15,16)
InChIKeyFBCMEINPCRRMEP-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.44
Rot. Bonds6

About 3-[acetyl(phenylmethoxy)amino]propanoic acid

3-[acetyl(phenylmethoxy)amino]propanoic acid (PubChem CID 10060062) has the molecular formula C12H15NO4 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-[acetyl(phenylmethoxy)amino]propanoic acid.

Molecular Properties

Compound Name3-[acetyl(phenylmethoxy)amino]propanoic acid
PubChem CID10060062
Molecular FormulaC12H15NO4
Molecular Weight237.26 g/mol
Exact Mass237.10
IUPAC Name3-[acetyl(phenylmethoxy)amino]propanoic acid
SMILESCC(=O)N(CCC(=O)O)OCc1ccccc1
InChIInChI=1S/C12H15NO4/c1-10(14)13(8-7-12(15)16)17-9-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H,15,16)
InChIKeyFBCMEINPCRRMEP-UHFFFAOYSA-N
XLogP1.44
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-oxopropyl)-N-phenylmethoxyacetamide
CID 71545702
3-[11-(dimethylamino)undecanoyl-phenylmethoxyamino]propanoic acid
CID 151814442
methyl 3-[carbamoyl(phenylmethoxy)amino]propanoate
CID 119089437
N-hydroxy-N-phenylmethoxyacetamide
CID 173249339
N-phenylmethoxyacetohydrazide
CID 174450270
5-[acetyl(phenylmethoxy)amino]-N-[5-[4-cyanobutyl(phenylmethoxy)amino]-5-oxopentyl]-N-phenylmethoxypentanamide
CID 10100838
methyl 2-[[acetyl(phenylmethoxy)amino]methyl]-4-phenylbutanoate
CID 59055890
3-[benzyl(ethoxy)amino]propanoic acid
CID 150666636
benzyl acetate
CID 8785
phenylmethoxy(2-phenylmethoxyethyl)carbamic acid
CID 142651909
3-[2-phenylmethoxypropanoyl(propan-2-yl)amino]propanoic acid
CID 60830240
ethyl N-(2-phenylethyl)-N-phenylmethoxycarbamate
CID 125470333

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(phenylmethoxy)amino]propanoic acid?
The IUPAC name of 3-[acetyl(phenylmethoxy)amino]propanoic acid (CID 10060062) is 3-[acetyl(phenylmethoxy)amino]propanoic acid.
What is the SMILES notation for 3-[acetyl(phenylmethoxy)amino]propanoic acid?
The canonical SMILES for 3-[acetyl(phenylmethoxy)amino]propanoic acid is CC(=O)N(CCC(=O)O)OCc1ccccc1.
What is the InChIKey of 3-[acetyl(phenylmethoxy)amino]propanoic acid?
The InChIKey is FBCMEINPCRRMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-10(14)13(8-7-12(15)16)17-9-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H,15,16).
What are the key properties of 3-[acetyl(phenylmethoxy)amino]propanoic acid?
3-[acetyl(phenylmethoxy)amino]propanoic acid has a molecular weight of 237.26 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(phenylmethoxy)amino]propanoic acid is sourced from PubChem (CID 10060062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).