(2S,3R)-3-hydroxy-4-methyl-2-(methylamino)pentanoic acid;prop-1-ene

C10H21NO3 — CID 6398424

IUPAC(2S,3R)-3-hydroxy-4-methyl-2-(methylamino)pentanoic acid;prop-1-ene
SMILESC=CC.CN[C@H](C(=O)O)[C@H](O)C(C)C
InChIInChI=1S/C7H15NO3.C3H6/c1-4(2)6(9)5(8-3)7(10)11;1-3-2/h4-6,8-9H,1-3H3,(H,10,11);3H,1H2,2H3/t5-,6+;/m0./s1
InChIKeyUZQRXAYQPUHPIR-RIHPBJNCSA-N
MW203.28 g/mol
LogP0.87
Rot. Bonds4

About (2S,3R)-3-hydroxy-4-methyl-2-(methylamino)pentanoic acid;prop-1-ene

(2S,3R)-3-hydroxy-4-methyl-2-(methylamino)pentanoic acid;prop-1-ene (PubChem CID 6398424) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-4-methyl-2-(methylamino)pentanoic acid;prop-1-ene.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-4-methyl-2-(methylamino)pentanoic acid;prop-1-ene
PubChem CID6398424
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name(2S,3R)-3-hydroxy-4-methyl-2-(methylamino)pentanoic acid;prop-1-ene
SMILESC=CC.CN[C@H](C(=O)O)[C@H](O)C(C)C
InChIInChI=1S/C7H15NO3.C3H6/c1-4(2)6(9)5(8-3)7(10)11;1-3-2/h4-6,8-9H,1-3H3,(H,10,11);3H,1H2,2H3/t5-,6+;/m0./s1
InChIKeyUZQRXAYQPUHPIR-RIHPBJNCSA-N
XLogP0.87
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-4-methyl-2-(methylamino)pentanoic acid;prop-1-ene?
The IUPAC name of (2S,3R)-3-hydroxy-4-methyl-2-(methylamino)pentanoic acid;prop-1-ene (CID 6398424) is (2S,3R)-3-hydroxy-4-methyl-2-(methylamino)pentanoic acid;prop-1-ene.
What is the SMILES notation for (2S,3R)-3-hydroxy-4-methyl-2-(methylamino)pentanoic acid;prop-1-ene?
The canonical SMILES for (2S,3R)-3-hydroxy-4-methyl-2-(methylamino)pentanoic acid;prop-1-ene is C=CC.CN[C@H](C(=O)O)[C@H](O)C(C)C.
What is the InChIKey of (2S,3R)-3-hydroxy-4-methyl-2-(methylamino)pentanoic acid;prop-1-ene?
The InChIKey is UZQRXAYQPUHPIR-RIHPBJNCSA-N. The full InChI is InChI=1S/C7H15NO3.C3H6/c1-4(2)6(9)5(8-3)7(10)11;1-3-2/h4-6,8-9H,1-3H3,(H,10,11);3H,1H2,2H3/t5-,6+;/m0./s1.
What are the key properties of (2S,3R)-3-hydroxy-4-methyl-2-(methylamino)pentanoic acid;prop-1-ene?
(2S,3R)-3-hydroxy-4-methyl-2-(methylamino)pentanoic acid;prop-1-ene has a molecular weight of 203.28 g/mol, XLogP of 0.87, 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-4-methyl-2-(methylamino)pentanoic acid;prop-1-ene is sourced from PubChem (CID 6398424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).