2-[acetyl(benzyl)amino]propanoic acid

C12H15NO3 — CID 11053213

IUPAC2-[acetyl(benzyl)amino]propanoic acid
SMILESCC(=O)N(Cc1ccccc1)C(C)C(=O)O
InChIInChI=1S/C12H15NO3/c1-9(12(15)16)13(10(2)14)8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,15,16)
InChIKeyBWNUBNZDOXXPOX-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.51
Rot. Bonds4

About 2-[acetyl(benzyl)amino]propanoic acid

2-[acetyl(benzyl)amino]propanoic acid (PubChem CID 11053213) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-[acetyl(benzyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[acetyl(benzyl)amino]propanoic acid
PubChem CID11053213
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-[acetyl(benzyl)amino]propanoic acid
SMILESCC(=O)N(Cc1ccccc1)C(C)C(=O)O
InChIInChI=1S/C12H15NO3/c1-9(12(15)16)13(10(2)14)8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,15,16)
InChIKeyBWNUBNZDOXXPOX-UHFFFAOYSA-N
XLogP1.51
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[acetyl(benzyl)amino]propanoic acid
CID 39244624
N-benzyl-N-propan-2-ylacetamide
CID 23534449
N-benzyl-N-(1-hydroxyethyl)acetamide
CID 54542101
methyl (2S)-2-[acetyl(benzyl)amino]propanoate
CID 75437880
(2R)-2-(dibenzylamino)propanoic acid
CID 10754456
2-[acetyl(benzyl)amino]-3-phenylpropanoic acid
CID 15325398
N-benzyl-N-(1-oxopropan-2-yl)acetamide
CID 19757605
2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 53399063
(2R)-2-(dibenzylamino)pentan-3-one
CID 11219765
benzyl(butan-2-yl)carbamic acid
CID 18954164
2-[acetyl(benzyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 133148522
N-benzyl-N-[methoxy(phenyl)methyl]acetamide
CID 102127516

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(benzyl)amino]propanoic acid?
The IUPAC name of 2-[acetyl(benzyl)amino]propanoic acid (CID 11053213) is 2-[acetyl(benzyl)amino]propanoic acid.
What is the SMILES notation for 2-[acetyl(benzyl)amino]propanoic acid?
The canonical SMILES for 2-[acetyl(benzyl)amino]propanoic acid is CC(=O)N(Cc1ccccc1)C(C)C(=O)O.
What is the InChIKey of 2-[acetyl(benzyl)amino]propanoic acid?
The InChIKey is BWNUBNZDOXXPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-9(12(15)16)13(10(2)14)8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,15,16).
What are the key properties of 2-[acetyl(benzyl)amino]propanoic acid?
2-[acetyl(benzyl)amino]propanoic acid has a molecular weight of 221.26 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(benzyl)amino]propanoic acid is sourced from PubChem (CID 11053213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).