(2S,3R)-3-hydroxy-2-(methylamino)pentanoic acid

C6H13NO3 — CID 55286555

IUPAC(2S,3R)-3-hydroxy-2-(methylamino)pentanoic acid
SMILESCC[C@@H](O)[C@H](NC)C(=O)O
InChIInChI=1S/C6H13NO3/c1-3-4(8)5(7-2)6(9)10/h4-5,7-8H,3H2,1-2H3,(H,9,10)/t4-,5+/m1/s1
InChIKeyHNCSHNXJJWIGTP-UHNVWZDZSA-N
MW147.17 g/mol
LogP-0.57
Rot. Bonds4

About (2S,3R)-3-hydroxy-2-(methylamino)pentanoic acid

(2S,3R)-3-hydroxy-2-(methylamino)pentanoic acid (PubChem CID 55286555) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-2-(methylamino)pentanoic acid.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-2-(methylamino)pentanoic acid
PubChem CID55286555
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name(2S,3R)-3-hydroxy-2-(methylamino)pentanoic acid
SMILESCC[C@@H](O)[C@H](NC)C(=O)O
InChIInChI=1S/C6H13NO3/c1-3-4(8)5(7-2)6(9)10/h4-5,7-8H,3H2,1-2H3,(H,9,10)/t4-,5+/m1/s1
InChIKeyHNCSHNXJJWIGTP-UHNVWZDZSA-N
XLogP-0.57
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-2-(methylamino)pentanoic acid?
The IUPAC name of (2S,3R)-3-hydroxy-2-(methylamino)pentanoic acid (CID 55286555) is (2S,3R)-3-hydroxy-2-(methylamino)pentanoic acid.
What is the SMILES notation for (2S,3R)-3-hydroxy-2-(methylamino)pentanoic acid?
The canonical SMILES for (2S,3R)-3-hydroxy-2-(methylamino)pentanoic acid is CC[C@@H](O)[C@H](NC)C(=O)O.
What is the InChIKey of (2S,3R)-3-hydroxy-2-(methylamino)pentanoic acid?
The InChIKey is HNCSHNXJJWIGTP-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H13NO3/c1-3-4(8)5(7-2)6(9)10/h4-5,7-8H,3H2,1-2H3,(H,9,10)/t4-,5+/m1/s1.
What are the key properties of (2S,3R)-3-hydroxy-2-(methylamino)pentanoic acid?
(2S,3R)-3-hydroxy-2-(methylamino)pentanoic acid has a molecular weight of 147.17 g/mol, XLogP of -0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-2-(methylamino)pentanoic acid is sourced from PubChem (CID 55286555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).