(2S,3R)-2-(dimethylamino)-3-methoxybutanamide

C7H16N2O2 — CID 89440516

IUPAC(2S,3R)-2-(dimethylamino)-3-methoxybutanamide
SMILESCO[C@H](C)[C@@H](C(N)=O)N(C)C
InChIInChI=1S/C7H16N2O2/c1-5(11-4)6(7(8)10)9(2)3/h5-6H,1-4H3,(H2,8,10)/t5-,6+/m1/s1
InChIKeyVWTILNSUKHFNLB-RITPCOANSA-N
MW160.22 g/mol
LogP-0.56
Rot. Bonds4

About (2S,3R)-2-(dimethylamino)-3-methoxybutanamide

(2S,3R)-2-(dimethylamino)-3-methoxybutanamide (PubChem CID 89440516) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is (2S,3R)-2-(dimethylamino)-3-methoxybutanamide.

Molecular Properties

Compound Name(2S,3R)-2-(dimethylamino)-3-methoxybutanamide
PubChem CID89440516
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name(2S,3R)-2-(dimethylamino)-3-methoxybutanamide
SMILESCO[C@H](C)[C@@H](C(N)=O)N(C)C
InChIInChI=1S/C7H16N2O2/c1-5(11-4)6(7(8)10)9(2)3/h5-6H,1-4H3,(H2,8,10)/t5-,6+/m1/s1
InChIKeyVWTILNSUKHFNLB-RITPCOANSA-N
XLogP-0.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(dimethylamino)-3-methylbutanamide;hydrochloride
CID 89440606
2-(dimethylamino)-3-methylbutanamide;prop-2-enal
CID 169183599
3-(dimethylamino)-4-methoxy-5-methylhexan-2-one
CID 58883186
3-methoxybutan-2-yl carbamate
CID 88788189
methyl (2R)-2-(dimethylamino)propanoate
CID 30030726
3-methoxy-2-piperazin-1-ylbutanamide
CID 69091413
diethyl 2,3-bis(dimethylamino)butanedioate
CID 13493507
methyl (3R)-2-amino-3-methoxybutanoate
CID 87094409
3-amino-4-methoxypentan-2-one
CID 58914399
(2R,3R)-2-hydroxy-3-methoxybutanediamide
CID 131227841
(3-methoxy-2-methylbutoxy)carbonyloxy (3-methoxy-2-methylbutyl) carbonate
CID 139761733
methyl (3S)-4-amino-3-methyl-4-oxobutanoate
CID 146955402

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(dimethylamino)-3-methoxybutanamide?
The IUPAC name of (2S,3R)-2-(dimethylamino)-3-methoxybutanamide (CID 89440516) is (2S,3R)-2-(dimethylamino)-3-methoxybutanamide.
What is the SMILES notation for (2S,3R)-2-(dimethylamino)-3-methoxybutanamide?
The canonical SMILES for (2S,3R)-2-(dimethylamino)-3-methoxybutanamide is CO[C@H](C)[C@@H](C(N)=O)N(C)C.
What is the InChIKey of (2S,3R)-2-(dimethylamino)-3-methoxybutanamide?
The InChIKey is VWTILNSUKHFNLB-RITPCOANSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-5(11-4)6(7(8)10)9(2)3/h5-6H,1-4H3,(H2,8,10)/t5-,6+/m1/s1.
What are the key properties of (2S,3R)-2-(dimethylamino)-3-methoxybutanamide?
(2S,3R)-2-(dimethylamino)-3-methoxybutanamide has a molecular weight of 160.22 g/mol, XLogP of -0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(dimethylamino)-3-methoxybutanamide is sourced from PubChem (CID 89440516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).