(2S)-N,N,2-trimethylbutanediamide

C7H14N2O2 — CID 89208905

IUPAC(2S)-N,N,2-trimethylbutanediamide
SMILESC[C@@H](CC(N)=O)C(=O)N(C)C
InChIInChI=1S/C7H14N2O2/c1-5(4-6(8)10)7(11)9(2)3/h5H,4H2,1-3H3,(H2,8,10)/t5-/m0/s1
InChIKeyCIOVBSUXVSBPIC-YFKPBYRVSA-N
MW158.20 g/mol
LogP-0.41
Rot. Bonds3

About (2S)-N,N,2-trimethylbutanediamide

(2S)-N,N,2-trimethylbutanediamide (PubChem CID 89208905) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is (2S)-N,N,2-trimethylbutanediamide.

Molecular Properties

Compound Name(2S)-N,N,2-trimethylbutanediamide
PubChem CID89208905
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name(2S)-N,N,2-trimethylbutanediamide
SMILESC[C@@H](CC(N)=O)C(=O)N(C)C
InChIInChI=1S/C7H14N2O2/c1-5(4-6(8)10)7(11)9(2)3/h5H,4H2,1-3H3,(H2,8,10)/t5-/m0/s1
InChIKeyCIOVBSUXVSBPIC-YFKPBYRVSA-N
XLogP-0.41
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-amino-2-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]-4-oxobutanoic acid
CID 55230557
3-methylbutanamide
CID 87933309
3-[1-(dimethylamino)-1-oxopropan-2-yl]sulfinyl-2-methylpropanoic acid
CID 64914560
2-(propan-2-ylamino)butanediamide
CID 66427979
3-methyl-4-oxoheptanamide
CID 57153231
(3R)-5-amino-3-methyl-5-oxopentanoic acid
CID 55285544
ethane;4-hydroxy-3-methylbutanamide
CID 170602711
benzyl N-[(2S)-4-amino-1-(dimethylamino)-1,4-dioxobutan-2-yl]carbamate
CID 102329953
2-[(2,4-diamino-4-oxobutanoyl)-methylamino]acetic acid
CID 61157104
(2S)-4-amino-4-oxo-2-(propan-2-ylcarbamoylamino)butanoic acid
CID 28737850
(2S)-4-amino-2-[carboxy(methyl)amino]-4-oxobutanoic acid
CID 175100388
(3S)-3-aminobutanamide;hydrochloride
CID 57478871

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N,2-trimethylbutanediamide?
The IUPAC name of (2S)-N,N,2-trimethylbutanediamide (CID 89208905) is (2S)-N,N,2-trimethylbutanediamide.
What is the SMILES notation for (2S)-N,N,2-trimethylbutanediamide?
The canonical SMILES for (2S)-N,N,2-trimethylbutanediamide is C[C@@H](CC(N)=O)C(=O)N(C)C.
What is the InChIKey of (2S)-N,N,2-trimethylbutanediamide?
The InChIKey is CIOVBSUXVSBPIC-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-5(4-6(8)10)7(11)9(2)3/h5H,4H2,1-3H3,(H2,8,10)/t5-/m0/s1.
What are the key properties of (2S)-N,N,2-trimethylbutanediamide?
(2S)-N,N,2-trimethylbutanediamide has a molecular weight of 158.20 g/mol, XLogP of -0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N,2-trimethylbutanediamide is sourced from PubChem (CID 89208905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).