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

C7H17ClN2O — CID 56831841

IUPAC(2S)-2-amino-N,N,3-trimethylbutanamide;hydrochloride
SMILESCC(C)[C@H](N)C(=O)N(C)C.Cl
InChIInChI=1S/C7H16N2O.ClH/c1-5(2)6(8)7(10)9(3)4;/h5-6H,8H2,1-4H3;1H/t6-;/m0./s1
InChIKeyDSTBQDHPDXXUIC-RGMNGODLSA-N
MW180.68 g/mol
LogP0.48
Rot. Bonds2

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

(2S)-2-amino-N,N,3-trimethylbutanamide;hydrochloride (PubChem CID 56831841) has the molecular formula C7H17ClN2O and a molecular weight of 180.68 g/mol. Its IUPAC name is (2S)-2-amino-N,N,3-trimethylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N,N,3-trimethylbutanamide;hydrochloride
PubChem CID56831841
Molecular FormulaC7H17ClN2O
Molecular Weight180.68 g/mol
Exact Mass180.10
IUPAC Name(2S)-2-amino-N,N,3-trimethylbutanamide;hydrochloride
SMILESCC(C)[C@H](N)C(=O)N(C)C.Cl
InChIInChI=1S/C7H16N2O.ClH/c1-5(2)6(8)7(10)9(3)4;/h5-6H,8H2,1-4H3;1H/t6-;/m0./s1
InChIKeyDSTBQDHPDXXUIC-RGMNGODLSA-N
XLogP0.48
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.68
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-Amino-3-methyl-1-(1-pyrrolidinyl)-1-butanone
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(2S)-2-amino-N,4-dimethylpentanamide
CID 11672684
(2S,3S)-2-Amino-N,N,3-trimethylpentanamide
CID 10678522
(2S,3S)-2-amino-N,3-dimethylpentanamide
CID 28182566
(R)-2-Amino-N-methyl-4-methylpentanamide
CID 14284955
(2S)-2-amino-N,3-dimethylbutanamide hydrochloride
CID 20598795
N1,N1-Dimethylalaninamide hydrochloride
CID 23444485
2-amino-N,N,4-trimethylpentanamide hydrochloride
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(2R)-2-amino-N,N-dimethylpropanamide hydrochloride
CID 57516590

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N,N,3-trimethylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N,N,3-trimethylbutanamide;hydrochloride (CID 56831841) is (2S)-2-amino-N,N,3-trimethylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N,N,3-trimethylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N,N,3-trimethylbutanamide;hydrochloride is CC(C)[C@H](N)C(=O)N(C)C.Cl.
What is the InChIKey of (2S)-2-amino-N,N,3-trimethylbutanamide;hydrochloride?
The InChIKey is DSTBQDHPDXXUIC-RGMNGODLSA-N. The full InChI is InChI=1S/C7H16N2O.ClH/c1-5(2)6(8)7(10)9(3)4;/h5-6H,8H2,1-4H3;1H/t6-;/m0./s1.
What are the key properties of (2S)-2-amino-N,N,3-trimethylbutanamide;hydrochloride?
(2S)-2-amino-N,N,3-trimethylbutanamide;hydrochloride has a molecular weight of 180.68 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N,N,3-trimethylbutanamide;hydrochloride is sourced from PubChem (CID 56831841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).