2-[(2-aminoacetyl)amino]-N-benzylpropanamide

C12H17N3O2 — CID 119304547

IUPAC2-[(2-aminoacetyl)amino]-N-benzylpropanamide
SMILESCC(NC(=O)CN)C(=O)NCc1ccccc1
InChIInChI=1S/C12H17N3O2/c1-9(15-11(16)7-13)12(17)14-8-10-5-3-2-4-6-10/h2-6,9H,7-8,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyLAPIECQNDGMNTG-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.23
Rot. Bonds5

About 2-[(2-aminoacetyl)amino]-N-benzylpropanamide

2-[(2-aminoacetyl)amino]-N-benzylpropanamide (PubChem CID 119304547) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[(2-aminoacetyl)amino]-N-benzylpropanamide.

Molecular Properties

Compound Name2-[(2-aminoacetyl)amino]-N-benzylpropanamide
PubChem CID119304547
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-[(2-aminoacetyl)amino]-N-benzylpropanamide
SMILESCC(NC(=O)CN)C(=O)NCc1ccccc1
InChIInChI=1S/C12H17N3O2/c1-9(15-11(16)7-13)12(17)14-8-10-5-3-2-4-6-10/h2-6,9H,7-8,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyLAPIECQNDGMNTG-UHFFFAOYSA-N
XLogP-0.23
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]butanamide
CID 119750989
7-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]heptanamide
CID 119750951
N-benzyl-2-(methylcarbamoylamino)propanamide
CID 47377374
(2S)-2-acetamido-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]propanamide
CID 167024593
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 54209319
(2R)-2-amino-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-methylpentanamide
CID 15296843
(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-3-phenylpropanoic acid
CID 6992494
2-methylpropyl N-[1-(benzylamino)-1-oxopropan-2-yl]carbamate
CID 123797558
(2S)-2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-3,3-dimethylbutanamide
CID 119750973
(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-N-[(3-iodophenyl)methyl]-3-phenylpropanamide
CID 71418593
2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-3-methylpentanamide;hydrochloride
CID 119750986
methyl (2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-3-phenylpropanoate
CID 70568445

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoacetyl)amino]-N-benzylpropanamide?
The IUPAC name of 2-[(2-aminoacetyl)amino]-N-benzylpropanamide (CID 119304547) is 2-[(2-aminoacetyl)amino]-N-benzylpropanamide.
What is the SMILES notation for 2-[(2-aminoacetyl)amino]-N-benzylpropanamide?
The canonical SMILES for 2-[(2-aminoacetyl)amino]-N-benzylpropanamide is CC(NC(=O)CN)C(=O)NCc1ccccc1.
What is the InChIKey of 2-[(2-aminoacetyl)amino]-N-benzylpropanamide?
The InChIKey is LAPIECQNDGMNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9(15-11(16)7-13)12(17)14-8-10-5-3-2-4-6-10/h2-6,9H,7-8,13H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 2-[(2-aminoacetyl)amino]-N-benzylpropanamide?
2-[(2-aminoacetyl)amino]-N-benzylpropanamide has a molecular weight of 235.29 g/mol, XLogP of -0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoacetyl)amino]-N-benzylpropanamide is sourced from PubChem (CID 119304547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).