3-amino-N-methylbutanamide;hydrochloride

C5H13ClN2O — CID 56773748

IUPAC3-amino-N-methylbutanamide;hydrochloride
SMILESCNC(=O)CC(C)N.Cl
InChIInChI=1S/C5H12N2O.ClH/c1-4(6)3-5(8)7-2;/h4H,3,6H2,1-2H3,(H,7,8);1H
InChIKeyNQEFXRFCVFZOIM-UHFFFAOYSA-N
MW152.62 g/mol
LogP-0.11
Rot. Bonds2

About 3-amino-N-methylbutanamide;hydrochloride

3-amino-N-methylbutanamide;hydrochloride (PubChem CID 56773748) has the molecular formula C5H13ClN2O and a molecular weight of 152.62 g/mol. Its IUPAC name is 3-amino-N-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-methylbutanamide;hydrochloride
PubChem CID56773748
Molecular FormulaC5H13ClN2O
Molecular Weight152.62 g/mol
Exact Mass152.07
IUPAC Name3-amino-N-methylbutanamide;hydrochloride
SMILESCNC(=O)CC(C)N.Cl
InChIInChI=1S/C5H12N2O.ClH/c1-4(6)3-5(8)7-2;/h4H,3,6H2,1-2H3,(H,7,8);1H
InChIKeyNQEFXRFCVFZOIM-UHFFFAOYSA-N
XLogP-0.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.62
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 3-amino-N-methylbutanamide;hydrochloride?
The IUPAC name of 3-amino-N-methylbutanamide;hydrochloride (CID 56773748) is 3-amino-N-methylbutanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-methylbutanamide;hydrochloride?
The canonical SMILES for 3-amino-N-methylbutanamide;hydrochloride is CNC(=O)CC(C)N.Cl.
What is the InChIKey of 3-amino-N-methylbutanamide;hydrochloride?
The InChIKey is NQEFXRFCVFZOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O.ClH/c1-4(6)3-5(8)7-2;/h4H,3,6H2,1-2H3,(H,7,8);1H.
What are the key properties of 3-amino-N-methylbutanamide;hydrochloride?
3-amino-N-methylbutanamide;hydrochloride has a molecular weight of 152.62 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methylbutanamide;hydrochloride is sourced from PubChem (CID 56773748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).