(2S)-2-amino-3,3-dimethyl(114C)butanamide

C6H14N2O — CID 57385453

IUPAC(2S)-2-amino-3,3-dimethyl(114C)butanamide
SMILESCC(C)(C)[C@H](N)[14C](N)=O
InChIInChI=1S/C6H14N2O/c1-6(2,3)4(7)5(8)9/h4H,7H2,1-3H3,(H2,8,9)/t4-/m1/s1/i5+2
InChIKeyQCVCCWSPZIUXEA-GSFOUZOUSA-N
MW132.18 g/mol
LogP-0.15
Rot. Bonds1

About (2S)-2-amino-3,3-dimethyl(114C)butanamide

(2S)-2-amino-3,3-dimethyl(114C)butanamide (PubChem CID 57385453) has the molecular formula C6H14N2O and a molecular weight of 132.18 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl(114C)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl(114C)butanamide
PubChem CID57385453
Molecular FormulaC6H14N2O
Molecular Weight132.18 g/mol
Exact Mass132.11
IUPAC Name(2S)-2-amino-3,3-dimethyl(114C)butanamide
SMILESCC(C)(C)[C@H](N)[14C](N)=O
InChIInChI=1S/C6H14N2O/c1-6(2,3)4(7)5(8)9/h4H,7H2,1-3H3,(H2,8,9)/t4-/m1/s1/i5+2
InChIKeyQCVCCWSPZIUXEA-GSFOUZOUSA-N
XLogP-0.15
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl(114C)butanamide?
The IUPAC name of (2S)-2-amino-3,3-dimethyl(114C)butanamide (CID 57385453) is (2S)-2-amino-3,3-dimethyl(114C)butanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl(114C)butanamide?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl(114C)butanamide is CC(C)(C)[C@H](N)[14C](N)=O.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl(114C)butanamide?
The InChIKey is QCVCCWSPZIUXEA-GSFOUZOUSA-N. The full InChI is InChI=1S/C6H14N2O/c1-6(2,3)4(7)5(8)9/h4H,7H2,1-3H3,(H2,8,9)/t4-/m1/s1/i5+2.
What are the key properties of (2S)-2-amino-3,3-dimethyl(114C)butanamide?
(2S)-2-amino-3,3-dimethyl(114C)butanamide has a molecular weight of 132.18 g/mol, XLogP of -0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl(114C)butanamide is sourced from PubChem (CID 57385453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).