(2S,3S)-2-amino-N,3-dimethylpentanamide;hydrochloride

C7H17ClN2O — CID 86767497

IUPAC(2S,3S)-2-amino-N,3-dimethylpentanamide;hydrochloride
SMILESCC[C@H](C)[C@H](N)C(=O)NC.Cl
InChIInChI=1S/C7H16N2O.ClH/c1-4-5(2)6(8)7(10)9-3;/h5-6H,4,8H2,1-3H3,(H,9,10);1H/t5-,6-;/m0./s1
InChIKeyAAVANSUHWBEDSU-GEMLJDPKSA-N
MW180.68 g/mol
LogP0.53
Rot. Bonds3

About (2S,3S)-2-amino-N,3-dimethylpentanamide;hydrochloride

(2S,3S)-2-amino-N,3-dimethylpentanamide;hydrochloride (PubChem CID 86767497) has the molecular formula C7H17ClN2O and a molecular weight of 180.68 g/mol. Its IUPAC name is (2S,3S)-2-amino-N,3-dimethylpentanamide;hydrochloride.

Molecular Properties

Compound Name(2S,3S)-2-amino-N,3-dimethylpentanamide;hydrochloride
PubChem CID86767497
Molecular FormulaC7H17ClN2O
Molecular Weight180.68 g/mol
Exact Mass180.10
IUPAC Name(2S,3S)-2-amino-N,3-dimethylpentanamide;hydrochloride
SMILESCC[C@H](C)[C@H](N)C(=O)NC.Cl
InChIInChI=1S/C7H16N2O.ClH/c1-4-5(2)6(8)7(10)9-3;/h5-6H,4,8H2,1-3H3,(H,9,10);1H/t5-,6-;/m0./s1
InChIKeyAAVANSUHWBEDSU-GEMLJDPKSA-N
XLogP0.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.68
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N,3-dimethylpentanamide;hydrochloride?
The IUPAC name of (2S,3S)-2-amino-N,3-dimethylpentanamide;hydrochloride (CID 86767497) is (2S,3S)-2-amino-N,3-dimethylpentanamide;hydrochloride.
What is the SMILES notation for (2S,3S)-2-amino-N,3-dimethylpentanamide;hydrochloride?
The canonical SMILES for (2S,3S)-2-amino-N,3-dimethylpentanamide;hydrochloride is CC[C@H](C)[C@H](N)C(=O)NC.Cl.
What is the InChIKey of (2S,3S)-2-amino-N,3-dimethylpentanamide;hydrochloride?
The InChIKey is AAVANSUHWBEDSU-GEMLJDPKSA-N. The full InChI is InChI=1S/C7H16N2O.ClH/c1-4-5(2)6(8)7(10)9-3;/h5-6H,4,8H2,1-3H3,(H,9,10);1H/t5-,6-;/m0./s1.
What are the key properties of (2S,3S)-2-amino-N,3-dimethylpentanamide;hydrochloride?
(2S,3S)-2-amino-N,3-dimethylpentanamide;hydrochloride has a molecular weight of 180.68 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-N,3-dimethylpentanamide;hydrochloride is sourced from PubChem (CID 86767497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).