(2R)-2-(tert-butylamino)-3-hydroxypropanoic acid

C7H15NO3 — CID 21123128

IUPAC(2R)-2-(tert-butylamino)-3-hydroxypropanoic acid
SMILESCC(C)(C)N[C@H](CO)C(=O)O
InChIInChI=1S/C7H15NO3/c1-7(2,3)8-5(4-9)6(10)11/h5,8-9H,4H2,1-3H3,(H,10,11)/t5-/m1/s1
InChIKeyVNLFZVJYRYRAIX-RXMQYKEDSA-N
MW161.20 g/mol
LogP-0.18
Rot. Bonds3

About (2R)-2-(tert-butylamino)-3-hydroxypropanoic acid

(2R)-2-(tert-butylamino)-3-hydroxypropanoic acid (PubChem CID 21123128) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is (2R)-2-(tert-butylamino)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-(tert-butylamino)-3-hydroxypropanoic acid
PubChem CID21123128
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name(2R)-2-(tert-butylamino)-3-hydroxypropanoic acid
SMILESCC(C)(C)N[C@H](CO)C(=O)O
InChIInChI=1S/C7H15NO3/c1-7(2,3)8-5(4-9)6(10)11/h5,8-9H,4H2,1-3H3,(H,10,11)/t5-/m1/s1
InChIKeyVNLFZVJYRYRAIX-RXMQYKEDSA-N
XLogP-0.18
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(tert-butylamino)-3-hydroxypropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(tert-butylamino)-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-(tert-butylamino)-3-hydroxypropanoic acid (CID 21123128) is (2R)-2-(tert-butylamino)-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-(tert-butylamino)-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-(tert-butylamino)-3-hydroxypropanoic acid is CC(C)(C)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-2-(tert-butylamino)-3-hydroxypropanoic acid?
The InChIKey is VNLFZVJYRYRAIX-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H15NO3/c1-7(2,3)8-5(4-9)6(10)11/h5,8-9H,4H2,1-3H3,(H,10,11)/t5-/m1/s1.
What are the key properties of (2R)-2-(tert-butylamino)-3-hydroxypropanoic acid?
(2R)-2-(tert-butylamino)-3-hydroxypropanoic acid has a molecular weight of 161.20 g/mol, XLogP of -0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(tert-butylamino)-3-hydroxypropanoic acid is sourced from PubChem (CID 21123128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).