(2S,3R,4S)-2-amino-4-hydroxy-3-methylpentanoic acid

C6H13NO3 — CID 6918732

IUPAC(2S,3R,4S)-2-amino-4-hydroxy-3-methylpentanoic acid
SMILESC[C@@H]([C@H](C)O)[C@H](N)C(=O)O
InChIInChI=1S/C6H13NO3/c1-3(4(2)8)5(7)6(9)10/h3-5,8H,7H2,1-2H3,(H,9,10)/t3-,4-,5-/m0/s1
InChIKeyOSCCDBFHNMXNME-YUPRTTJUSA-N
MW147.17 g/mol
LogP-0.58
Rot. Bonds3

About (2S,3R,4S)-2-amino-4-hydroxy-3-methylpentanoic acid

(2S,3R,4S)-2-amino-4-hydroxy-3-methylpentanoic acid (PubChem CID 6918732) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is (2S,3R,4S)-2-amino-4-hydroxy-3-methylpentanoic acid.

Molecular Properties

Compound Name(2S,3R,4S)-2-amino-4-hydroxy-3-methylpentanoic acid
PubChem CID6918732
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name(2S,3R,4S)-2-amino-4-hydroxy-3-methylpentanoic acid
SMILESC[C@@H]([C@H](C)O)[C@H](N)C(=O)O
InChIInChI=1S/C6H13NO3/c1-3(4(2)8)5(7)6(9)10/h3-5,8H,7H2,1-2H3,(H,9,10)/t3-,4-,5-/m0/s1
InChIKeyOSCCDBFHNMXNME-YUPRTTJUSA-N
XLogP-0.58
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S)-2-amino-4-hydroxy-3-methylpentanoic acid?
The IUPAC name of (2S,3R,4S)-2-amino-4-hydroxy-3-methylpentanoic acid (CID 6918732) is (2S,3R,4S)-2-amino-4-hydroxy-3-methylpentanoic acid.
What is the SMILES notation for (2S,3R,4S)-2-amino-4-hydroxy-3-methylpentanoic acid?
The canonical SMILES for (2S,3R,4S)-2-amino-4-hydroxy-3-methylpentanoic acid is C[C@@H]([C@H](C)O)[C@H](N)C(=O)O.
What is the InChIKey of (2S,3R,4S)-2-amino-4-hydroxy-3-methylpentanoic acid?
The InChIKey is OSCCDBFHNMXNME-YUPRTTJUSA-N. The full InChI is InChI=1S/C6H13NO3/c1-3(4(2)8)5(7)6(9)10/h3-5,8H,7H2,1-2H3,(H,9,10)/t3-,4-,5-/m0/s1.
What are the key properties of (2S,3R,4S)-2-amino-4-hydroxy-3-methylpentanoic acid?
(2S,3R,4S)-2-amino-4-hydroxy-3-methylpentanoic acid has a molecular weight of 147.17 g/mol, XLogP of -0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S)-2-amino-4-hydroxy-3-methylpentanoic acid is sourced from PubChem (CID 6918732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).