(2S)-2-amino-N,3-dimethylbutanamide

C6H14N2O — CID 11423608

IUPAC(2S)-2-amino-N,3-dimethylbutanamide
SMILESCNC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C6H14N2O/c1-4(2)5(7)6(9)8-3/h4-5H,7H2,1-3H3,(H,8,9)/t5-/m0/s1
InChIKeyOKTIZBDONHCJEL-YFKPBYRVSA-N
MW130.19 g/mol
LogP-0.28
Rot. Bonds2

About (2S)-2-amino-N,3-dimethylbutanamide

(2S)-2-amino-N,3-dimethylbutanamide (PubChem CID 11423608) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is (2S)-2-amino-N,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N,3-dimethylbutanamide
PubChem CID11423608
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name(2S)-2-amino-N,3-dimethylbutanamide
SMILESCNC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C6H14N2O/c1-4(2)5(7)6(9)8-3/h4-5H,7H2,1-3H3,(H,8,9)/t5-/m0/s1
InChIKeyOKTIZBDONHCJEL-YFKPBYRVSA-N
XLogP-0.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(2S)-2-amino-N-(cyanomethyl)-N,3-dimethylbutanamide
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(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-methylbutanamide
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(2R)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-methylbutanamide
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CID 644829
(S)-3-Isopropyl-2,5-piperazinedione
CID 736942
3-Isopropyl-2,5-piperazine-dione
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US8722896, N-[(2S)-2-Aminopropanoyl]-(2S)-valylamide
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(2S)-2-amino-N,4-dimethylpentanamide
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3-(Propan-2-yl)piperazin-2-one
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N,3-dimethylbutanamide (CID 11423608) is (2S)-2-amino-N,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N,3-dimethylbutanamide is CNC(=O)[C@@H](N)C(C)C.
What is the InChIKey of (2S)-2-amino-N,3-dimethylbutanamide?
The InChIKey is OKTIZBDONHCJEL-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H14N2O/c1-4(2)5(7)6(9)8-3/h4-5H,7H2,1-3H3,(H,8,9)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-N,3-dimethylbutanamide?
(2S)-2-amino-N,3-dimethylbutanamide has a molecular weight of 130.19 g/mol, XLogP of -0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N,3-dimethylbutanamide is sourced from PubChem (CID 11423608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).