3-[(2-aminoacetyl)amino]-N-benzylpropanamide;hydrochloride

C12H18ClN3O2 — CID 119310950

IUPAC3-[(2-aminoacetyl)amino]-N-benzylpropanamide;hydrochloride
SMILESCl.NCC(=O)NCCC(=O)NCc1ccccc1
InChIInChI=1S/C12H17N3O2.ClH/c13-8-12(17)14-7-6-11(16)15-9-10-4-2-1-3-5-10;/h1-5H,6-9,13H2,(H,14,17)(H,15,16);1H
InChIKeyIXPZYLJJSNQOHI-UHFFFAOYSA-N
MW271.75 g/mol
LogP0.19
Rot. Bonds6

About 3-[(2-aminoacetyl)amino]-N-benzylpropanamide;hydrochloride

3-[(2-aminoacetyl)amino]-N-benzylpropanamide;hydrochloride (PubChem CID 119310950) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 3-[(2-aminoacetyl)amino]-N-benzylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-[(2-aminoacetyl)amino]-N-benzylpropanamide;hydrochloride
PubChem CID119310950
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name3-[(2-aminoacetyl)amino]-N-benzylpropanamide;hydrochloride
SMILESCl.NCC(=O)NCCC(=O)NCc1ccccc1
InChIInChI=1S/C12H17N3O2.ClH/c13-8-12(17)14-7-6-11(16)15-9-10-4-2-1-3-5-10;/h1-5H,6-9,13H2,(H,14,17)(H,15,16);1H
InChIKeyIXPZYLJJSNQOHI-UHFFFAOYSA-N
XLogP0.19
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-aminoacetyl)amino]-N-benzylpropanamide;hydrochloride?
The IUPAC name of 3-[(2-aminoacetyl)amino]-N-benzylpropanamide;hydrochloride (CID 119310950) is 3-[(2-aminoacetyl)amino]-N-benzylpropanamide;hydrochloride.
What is the SMILES notation for 3-[(2-aminoacetyl)amino]-N-benzylpropanamide;hydrochloride?
The canonical SMILES for 3-[(2-aminoacetyl)amino]-N-benzylpropanamide;hydrochloride is Cl.NCC(=O)NCCC(=O)NCc1ccccc1.
What is the InChIKey of 3-[(2-aminoacetyl)amino]-N-benzylpropanamide;hydrochloride?
The InChIKey is IXPZYLJJSNQOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2.ClH/c13-8-12(17)14-7-6-11(16)15-9-10-4-2-1-3-5-10;/h1-5H,6-9,13H2,(H,14,17)(H,15,16);1H.
What are the key properties of 3-[(2-aminoacetyl)amino]-N-benzylpropanamide;hydrochloride?
3-[(2-aminoacetyl)amino]-N-benzylpropanamide;hydrochloride has a molecular weight of 271.75 g/mol, XLogP of 0.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-aminoacetyl)amino]-N-benzylpropanamide;hydrochloride is sourced from PubChem (CID 119310950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).