[acetyl(benzyl)amino] acetate

C11H13NO3 — CID 131850460

IUPAC[acetyl(benzyl)amino] acetate
SMILESCC(=O)ON(Cc1ccccc1)C(C)=O
InChIInChI=1S/C11H13NO3/c1-9(13)12(15-10(2)14)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3
InChIKeyUIMYYKLBQLMOEN-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.51
Rot. Bonds2

About [acetyl(benzyl)amino] acetate

[acetyl(benzyl)amino] acetate (PubChem CID 131850460) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is [acetyl(benzyl)amino] acetate.

Molecular Properties

Compound Name[acetyl(benzyl)amino] acetate
PubChem CID131850460
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name[acetyl(benzyl)amino] acetate
SMILESCC(=O)ON(Cc1ccccc1)C(C)=O
InChIInChI=1S/C11H13NO3/c1-9(13)12(15-10(2)14)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3
InChIKeyUIMYYKLBQLMOEN-UHFFFAOYSA-N
XLogP1.51
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[acetyl(benzyl)amino]-3-methylbutanoyl]-acetyloxyamino]acetic acid
CID 87516611
[benzyl-[benzyl(carbamoyl)amino]amino] acetate
CID 174587086
N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide
CID 562449
benzyl(methanethioyloxy)carbamic acid
CID 91111214
benzoyloxy(benzyl)carbamic acid
CID 88793521
[acetyl-[(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)methyl]amino] acetate
CID 10806985
2-[acetyloxy(benzoyl)amino]acetic acid
CID 87378197
1-benzyl-1-phenylmethoxyurea
CID 22444379
N-benzyl-N-propan-2-ylacetamide
CID 23534449
benzyl(bromo)carbamic acid
CID 87217964
carbonic acid;N,N-dimethyl-1-phenylmethanamine
CID 69138278
N-benzyl-N-methoxyprop-2-enamide
CID 86239438

Frequently Asked Questions

What is the IUPAC name of [acetyl(benzyl)amino] acetate?
The IUPAC name of [acetyl(benzyl)amino] acetate (CID 131850460) is [acetyl(benzyl)amino] acetate.
What is the SMILES notation for [acetyl(benzyl)amino] acetate?
The canonical SMILES for [acetyl(benzyl)amino] acetate is CC(=O)ON(Cc1ccccc1)C(C)=O.
What is the InChIKey of [acetyl(benzyl)amino] acetate?
The InChIKey is UIMYYKLBQLMOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-9(13)12(15-10(2)14)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3.
What are the key properties of [acetyl(benzyl)amino] acetate?
[acetyl(benzyl)amino] acetate has a molecular weight of 207.23 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyl(benzyl)amino] acetate is sourced from PubChem (CID 131850460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).