N-(2-aminoethyl)propanamide;hydrochloride

C5H13ClN2O — CID 133080637

IUPACN-(2-aminoethyl)propanamide;hydrochloride
SMILESCCC(=O)NCCN.Cl
InChIInChI=1S/C5H12N2O.ClH/c1-2-5(8)7-4-3-6;/h2-4,6H2,1H3,(H,7,8);1H
InChIKeyCUMVVCKRKBPCTI-UHFFFAOYSA-N
MW152.63 g/mol
LogP-0.11
Rot. Bonds3

About N-(2-aminoethyl)propanamide;hydrochloride

N-(2-aminoethyl)propanamide;hydrochloride (PubChem CID 133080637) has the molecular formula C5H13ClN2O and a molecular weight of 152.63 g/mol. Its IUPAC name is N-(2-aminoethyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)propanamide;hydrochloride
PubChem CID133080637
Molecular FormulaC5H13ClN2O
Molecular Weight152.63 g/mol
Exact Mass152.07
IUPAC NameN-(2-aminoethyl)propanamide;hydrochloride
SMILESCCC(=O)NCCN.Cl
InChIInChI=1S/C5H12N2O.ClH/c1-2-5(8)7-4-3-6;/h2-4,6H2,1H3,(H,7,8);1H
InChIKeyCUMVVCKRKBPCTI-UHFFFAOYSA-N
XLogP-0.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.63
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)propanamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)propanamide;hydrochloride (CID 133080637) is N-(2-aminoethyl)propanamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)propanamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)propanamide;hydrochloride is CCC(=O)NCCN.Cl.
What is the InChIKey of N-(2-aminoethyl)propanamide;hydrochloride?
The InChIKey is CUMVVCKRKBPCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O.ClH/c1-2-5(8)7-4-3-6;/h2-4,6H2,1H3,(H,7,8);1H.
What are the key properties of N-(2-aminoethyl)propanamide;hydrochloride?
N-(2-aminoethyl)propanamide;hydrochloride has a molecular weight of 152.63 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)propanamide;hydrochloride is sourced from PubChem (CID 133080637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).