(2S)-2-(dimethylamino)-4-hydroxybutanoic acid

C6H13NO3 — CID 131888341

IUPAC(2S)-2-(dimethylamino)-4-hydroxybutanoic acid
SMILESCN(C)[C@@H](CCO)C(=O)O
InChIInChI=1S/C6H13NO3/c1-7(2)5(3-4-8)6(9)10/h5,8H,3-4H2,1-2H3,(H,9,10)/t5-/m0/s1
InChIKeyAKDAQSUNANVBDM-YFKPBYRVSA-N
MW147.17 g/mol
LogP-0.62
Rot. Bonds4

About (2S)-2-(dimethylamino)-4-hydroxybutanoic acid

(2S)-2-(dimethylamino)-4-hydroxybutanoic acid (PubChem CID 131888341) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-4-hydroxybutanoic acid
PubChem CID131888341
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name(2S)-2-(dimethylamino)-4-hydroxybutanoic acid
SMILESCN(C)[C@@H](CCO)C(=O)O
InChIInChI=1S/C6H13NO3/c1-7(2)5(3-4-8)6(9)10/h5,8H,3-4H2,1-2H3,(H,9,10)/t5-/m0/s1
InChIKeyAKDAQSUNANVBDM-YFKPBYRVSA-N
XLogP-0.62
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Dimethyl aspartic acid
CID 12774059
Aspartic acid, N,N-dimethyl-
CID 331530
(2S)-2-(dimethylamino)butanoic acid
CID 25758183
(2S)-2-(dimethylamino)-4-methoxy-4-oxobutanoicacidhydrochloride
CID 155943720
2-(Dimethylamino)butanoic acid
CID 18763804
1,2-Dicarboxyethyl(trimethyl)azanium
CID 21023394
Carboxymethyl betaine
CID 21881367
Ethyl homoserine
CID 54197422
N-Methyl-L-homoserine
CID 54232136
Trimethylhomoserine
CID 87376375
(2S)-4-hydroxy-2-(trimethylazaniumyl)butanoate
CID 131226751
(2S)-4-hydroxy-2-[propyl(3,3,3-trifluoropropyl)amino]butanoic acid
CID 150946959

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-4-hydroxybutanoic acid?
The IUPAC name of (2S)-2-(dimethylamino)-4-hydroxybutanoic acid (CID 131888341) is (2S)-2-(dimethylamino)-4-hydroxybutanoic acid.
What is the SMILES notation for (2S)-2-(dimethylamino)-4-hydroxybutanoic acid?
The canonical SMILES for (2S)-2-(dimethylamino)-4-hydroxybutanoic acid is CN(C)[C@@H](CCO)C(=O)O.
What is the InChIKey of (2S)-2-(dimethylamino)-4-hydroxybutanoic acid?
The InChIKey is AKDAQSUNANVBDM-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H13NO3/c1-7(2)5(3-4-8)6(9)10/h5,8H,3-4H2,1-2H3,(H,9,10)/t5-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)-4-hydroxybutanoic acid?
(2S)-2-(dimethylamino)-4-hydroxybutanoic acid has a molecular weight of 147.17 g/mol, XLogP of -0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-4-hydroxybutanoic acid is sourced from PubChem (CID 131888341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).