(2S,3S)-2-amino-3-hydroxy-6-methylheptanoic acid

C8H17NO3 — CID 154251758

IUPAC(2S,3S)-2-amino-3-hydroxy-6-methylheptanoic acid
SMILESCC(C)CC[C@H](O)[C@H](N)C(=O)O
InChIInChI=1S/C8H17NO3/c1-5(2)3-4-6(10)7(9)8(11)12/h5-7,10H,3-4,9H2,1-2H3,(H,11,12)/t6-,7-/m0/s1
InChIKeyFHCQJCPUKNPKLZ-BQBZGAKWSA-N
MW175.23 g/mol
LogP0.20
Rot. Bonds5

About (2S,3S)-2-amino-3-hydroxy-6-methylheptanoic acid

(2S,3S)-2-amino-3-hydroxy-6-methylheptanoic acid (PubChem CID 154251758) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-hydroxy-6-methylheptanoic acid.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-hydroxy-6-methylheptanoic acid
PubChem CID154251758
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name(2S,3S)-2-amino-3-hydroxy-6-methylheptanoic acid
SMILESCC(C)CC[C@H](O)[C@H](N)C(=O)O
InChIInChI=1S/C8H17NO3/c1-5(2)3-4-6(10)7(9)8(11)12/h5-7,10H,3-4,9H2,1-2H3,(H,11,12)/t6-,7-/m0/s1
InChIKeyFHCQJCPUKNPKLZ-BQBZGAKWSA-N
XLogP0.20
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-2,5-diamino-3-hydroxypentanoic acid
CID 14780344
(2S)-2-amino-3-hydroxyheptanoic acid
CID 139775906
(2R)-2-amino-5-methylhexanoic acid
CID 40537121
2-amino-3-deuterio-3-methylbutanoic acid
CID 59859246
(2S)-2-amino-5-methylhexanoic acid;hydrate
CID 141394996
(2S)-2-amino-3-hydroxypentanoic acid;hydrochloride
CID 87786903
2-amino-5-ethylsulfanyl-3-hydroxypentanoic acid
CID 116504445
(2S,3S)-2-amino-3-hydroxy-4-phosphanylbutanoic acid
CID 87416612
(2S,3R)-2-amino-3-deuterio-3-hydroxybutanoic acid
CID 10582778
(2S,3R)-2-amino-3-hydroxybutanoic acid
CID 158974218
(2S,3R)-2-amino-4-bromo-3-hydroxybutanoic acid
CID 130737323
(2S,3S)-2-amino-3-hydroxybutanoic acid;hydrochloride
CID 122360052

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-hydroxy-6-methylheptanoic acid?
The IUPAC name of (2S,3S)-2-amino-3-hydroxy-6-methylheptanoic acid (CID 154251758) is (2S,3S)-2-amino-3-hydroxy-6-methylheptanoic acid.
What is the SMILES notation for (2S,3S)-2-amino-3-hydroxy-6-methylheptanoic acid?
The canonical SMILES for (2S,3S)-2-amino-3-hydroxy-6-methylheptanoic acid is CC(C)CC[C@H](O)[C@H](N)C(=O)O.
What is the InChIKey of (2S,3S)-2-amino-3-hydroxy-6-methylheptanoic acid?
The InChIKey is FHCQJCPUKNPKLZ-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H17NO3/c1-5(2)3-4-6(10)7(9)8(11)12/h5-7,10H,3-4,9H2,1-2H3,(H,11,12)/t6-,7-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-hydroxy-6-methylheptanoic acid?
(2S,3S)-2-amino-3-hydroxy-6-methylheptanoic acid has a molecular weight of 175.23 g/mol, XLogP of 0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-hydroxy-6-methylheptanoic acid is sourced from PubChem (CID 154251758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).