(2R)-2-(dimethylamino)-3-hydroxypropanoic acid

C5H11NO3 — CID 45087567

IUPAC(2R)-2-(dimethylamino)-3-hydroxypropanoic acid
SMILESCN(C)[C@H](CO)C(=O)O
InChIInChI=1S/C5H11NO3/c1-6(2)4(3-7)5(8)9/h4,7H,3H2,1-2H3,(H,8,9)/t4-/m1/s1
InChIKeyUHOZUUWRLMQQBZ-SCSAIBSYSA-N
MW133.15 g/mol
LogP-1.01
Rot. Bonds3

About (2R)-2-(dimethylamino)-3-hydroxypropanoic acid

(2R)-2-(dimethylamino)-3-hydroxypropanoic acid (PubChem CID 45087567) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-(dimethylamino)-3-hydroxypropanoic acid
PubChem CID45087567
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name(2R)-2-(dimethylamino)-3-hydroxypropanoic acid
SMILESCN(C)[C@H](CO)C(=O)O
InChIInChI=1S/C5H11NO3/c1-6(2)4(3-7)5(8)9/h4,7H,3H2,1-2H3,(H,8,9)/t4-/m1/s1
InChIKeyUHOZUUWRLMQQBZ-SCSAIBSYSA-N
XLogP-1.01
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-(dimethylamino)-3-hydroxypropanoic acid (CID 45087567) is (2R)-2-(dimethylamino)-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-(dimethylamino)-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-(dimethylamino)-3-hydroxypropanoic acid is CN(C)[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-2-(dimethylamino)-3-hydroxypropanoic acid?
The InChIKey is UHOZUUWRLMQQBZ-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H11NO3/c1-6(2)4(3-7)5(8)9/h4,7H,3H2,1-2H3,(H,8,9)/t4-/m1/s1.
What are the key properties of (2R)-2-(dimethylamino)-3-hydroxypropanoic acid?
(2R)-2-(dimethylamino)-3-hydroxypropanoic acid has a molecular weight of 133.15 g/mol, XLogP of -1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dimethylamino)-3-hydroxypropanoic acid is sourced from PubChem (CID 45087567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).