(2S,3R)-3-hydroxy-N,N-dimethyl-2-(methylamino)butanamide

C7H16N2O2 — CID 163858053

IUPAC(2S,3R)-3-hydroxy-N,N-dimethyl-2-(methylamino)butanamide
SMILESCN[C@H](C(=O)N(C)C)[C@@H](C)O
InChIInChI=1S/C7H16N2O2/c1-5(10)6(8-2)7(11)9(3)4/h5-6,8,10H,1-4H3/t5-,6+/m1/s1
InChIKeyPABHJXDPZYKEQE-RITPCOANSA-N
MW160.22 g/mol
LogP-0.96
Rot. Bonds3

About (2S,3R)-3-hydroxy-N,N-dimethyl-2-(methylamino)butanamide

(2S,3R)-3-hydroxy-N,N-dimethyl-2-(methylamino)butanamide (PubChem CID 163858053) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-N,N-dimethyl-2-(methylamino)butanamide.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-N,N-dimethyl-2-(methylamino)butanamide
PubChem CID163858053
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name(2S,3R)-3-hydroxy-N,N-dimethyl-2-(methylamino)butanamide
SMILESCN[C@H](C(=O)N(C)C)[C@@H](C)O
InChIInChI=1S/C7H16N2O2/c1-5(10)6(8-2)7(11)9(3)4/h5-6,8,10H,1-4H3/t5-,6+/m1/s1
InChIKeyPABHJXDPZYKEQE-RITPCOANSA-N
XLogP-0.96
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-hydroxy-2-(methylamino)butanoic acid
CID 130189259
4-hydroxy-3-(methylamino)pentan-2-one
CID 22981507
N,N-dimethyl-2-(methylamino)-3-phenylbutanamide
CID 16748884
methyl (2S,3R)-3-hydroxy-2-(methylamino)butanoate
CID 11615188
2-(ethylamino)-N,N,3-trimethylbutanamide
CID 143168828
ethane;N-formyl-3-hydroxy-2-(methylamino)butanamide
CID 171078131
2,3-dihydroxy-N,N,N',N'-tetramethylbutanediamide;sulfane
CID 74892775
(2R)-N,N-dimethyl-2-(methylcarbamoylamino)propanamide
CID 59006567
(3R)-N-(fluoromethyl)-3-hydroxy-N-methyl-2-(methylcarbamoylamino)butanamide
CID 144600499
ethane;[[3-hydroxy-2-(methylamino)butanoyl]amino]methylboronic acid;2-methylpropane
CID 144547756
(2S,5S,6R)-1,6-dihydroxy-2,5-bis(methylamino)heptane-3,4-dione
CID 58350605
N,N-dimethyl-2-(propan-2-ylamino)propanamide
CID 43085810

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-N,N-dimethyl-2-(methylamino)butanamide?
The IUPAC name of (2S,3R)-3-hydroxy-N,N-dimethyl-2-(methylamino)butanamide (CID 163858053) is (2S,3R)-3-hydroxy-N,N-dimethyl-2-(methylamino)butanamide.
What is the SMILES notation for (2S,3R)-3-hydroxy-N,N-dimethyl-2-(methylamino)butanamide?
The canonical SMILES for (2S,3R)-3-hydroxy-N,N-dimethyl-2-(methylamino)butanamide is CN[C@H](C(=O)N(C)C)[C@@H](C)O.
What is the InChIKey of (2S,3R)-3-hydroxy-N,N-dimethyl-2-(methylamino)butanamide?
The InChIKey is PABHJXDPZYKEQE-RITPCOANSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-5(10)6(8-2)7(11)9(3)4/h5-6,8,10H,1-4H3/t5-,6+/m1/s1.
What are the key properties of (2S,3R)-3-hydroxy-N,N-dimethyl-2-(methylamino)butanamide?
(2S,3R)-3-hydroxy-N,N-dimethyl-2-(methylamino)butanamide has a molecular weight of 160.22 g/mol, XLogP of -0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-N,N-dimethyl-2-(methylamino)butanamide is sourced from PubChem (CID 163858053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).