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

C6H13NO3 — CID 14503313

IUPAC(3S)-3-amino-2-hydroxy-4-methylpentanoic acid
SMILESCC(C)[C@H](N)C(O)C(=O)O
InChIInChI=1S/C6H13NO3/c1-3(2)4(7)5(8)6(9)10/h3-5,8H,7H2,1-2H3,(H,9,10)/t4-,5?/m0/s1
InChIKeyGOFAZNNHAIDEBD-ROLXFIACSA-N
MW147.17 g/mol
LogP-0.58
Rot. Bonds3

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

(3S)-3-amino-2-hydroxy-4-methylpentanoic acid (PubChem CID 14503313) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is (3S)-3-amino-2-hydroxy-4-methylpentanoic acid.

Molecular Properties

Compound Name(3S)-3-amino-2-hydroxy-4-methylpentanoic acid
PubChem CID14503313
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name(3S)-3-amino-2-hydroxy-4-methylpentanoic acid
SMILESCC(C)[C@H](N)C(O)C(=O)O
InChIInChI=1S/C6H13NO3/c1-3(2)4(7)5(8)6(9)10/h3-5,8H,7H2,1-2H3,(H,9,10)/t4-,5?/m0/s1
InChIKeyGOFAZNNHAIDEBD-ROLXFIACSA-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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Related Compounds

(2R,3S)-3-amino-2-hydroxy-4-methylpentanoic acid
CID 11701056
(2R,3R)-3-amino-2-hydroxybutanoic acid
CID 10997015
CID 170844591
CID 170844591
(2S,3R)-2,3-dihydroxy-4-methylpentanoic acid
CID 11137318
2-hydroxy-4-methyl-3-propan-2-ylpentanoic acid
CID 141142510
2,3-dihydroxybutanedioic acid;bis(1-methoxyethanamine)
CID 174560140
(2S)-2-aminopropanoic acid
CID 18446182
(2S)-2-aminopropanoic acid
CID 5950
(2R)-2-aminopropanoic acid
CID 18611140
(2R)-2-(15N)azanyl-3-methylbutanoic acid
CID 10558606
CID 86589108
CID 86589108
(2R)-2-aminopropanoic acid;phosphane
CID 157319334

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-2-hydroxy-4-methylpentanoic acid?
The IUPAC name of (3S)-3-amino-2-hydroxy-4-methylpentanoic acid (CID 14503313) is (3S)-3-amino-2-hydroxy-4-methylpentanoic acid.
What is the SMILES notation for (3S)-3-amino-2-hydroxy-4-methylpentanoic acid?
The canonical SMILES for (3S)-3-amino-2-hydroxy-4-methylpentanoic acid is CC(C)[C@H](N)C(O)C(=O)O.
What is the InChIKey of (3S)-3-amino-2-hydroxy-4-methylpentanoic acid?
The InChIKey is GOFAZNNHAIDEBD-ROLXFIACSA-N. The full InChI is InChI=1S/C6H13NO3/c1-3(2)4(7)5(8)6(9)10/h3-5,8H,7H2,1-2H3,(H,9,10)/t4-,5?/m0/s1.
What are the key properties of (3S)-3-amino-2-hydroxy-4-methylpentanoic acid?
(3S)-3-amino-2-hydroxy-4-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 (3S)-3-amino-2-hydroxy-4-methylpentanoic acid is sourced from PubChem (CID 14503313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).