(2S)-2-amino-4-methylpentanoic acid;methyl 2-hydroxybutanoate

C11H23NO5 — CID 131724020

IUPAC(2S)-2-amino-4-methylpentanoic acid;methyl 2-hydroxybutanoate
SMILESCC(C)C[C@H](N)C(=O)O.CCC(O)C(=O)OC
InChIInChI=1S/C6H13NO2.C5H10O3/c1-4(2)3-5(7)6(8)9;1-3-4(6)5(7)8-2/h4-5H,3,7H2,1-2H3,(H,8,9);4,6H,3H2,1-2H3/t5-;/m0./s1
InChIKeyPKEUWESKUGWZBE-JEDNCBNOSA-N
MW249.31 g/mol
LogP0.37
Rot. Bonds5

About (2S)-2-amino-4-methylpentanoic acid;methyl 2-hydroxybutanoate

(2S)-2-amino-4-methylpentanoic acid;methyl 2-hydroxybutanoate (PubChem CID 131724020) has the molecular formula C11H23NO5 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2S)-2-amino-4-methylpentanoic acid;methyl 2-hydroxybutanoate.

Molecular Properties

Compound Name(2S)-2-amino-4-methylpentanoic acid;methyl 2-hydroxybutanoate
PubChem CID131724020
Molecular FormulaC11H23NO5
Molecular Weight249.31 g/mol
Exact Mass249.16
IUPAC Name(2S)-2-amino-4-methylpentanoic acid;methyl 2-hydroxybutanoate
SMILESCC(C)C[C@H](N)C(=O)O.CCC(O)C(=O)OC
InChIInChI=1S/C6H13NO2.C5H10O3/c1-4(2)3-5(7)6(8)9;1-3-4(6)5(7)8-2/h4-5H,3,7H2,1-2H3,(H,8,9);4,6H,3H2,1-2H3/t5-;/m0./s1
InChIKeyPKEUWESKUGWZBE-JEDNCBNOSA-N
XLogP0.37
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151
2-amino-4-methylpentanoic acid;chromium
CID 88640601
(2S)-2-amino-4-methylpentanoic acid;hydrazine
CID 160824424
(2S)-2-amino-4-methylpentanoic acid;cerium
CID 86698944
CID 6369563
CID 6369563
(2S)-2-amino-4-methylpentanoic acid;propanoic acid
CID 158078275
sodium;(2S)-2-amino-4-methylpentanoic acid;hydride
CID 173065319
(2S)-2-amino-4-methylpentanoic acid;oxovanadium
CID 175017880
bis((2S)-2-amino-4-methylpentanoic acid);bis((2S)-2-aminopropanoic acid)
CID 57354298
(2S)-2-amino-4-methylpentanoic acid;methyl 3-hydroxy-2-methylidenebutanoate
CID 174857893
2-amino-3-methylbutanoic acid;2-amino-3-methylpentanoic acid;bis(2-amino-4-methylpentanoic acid)
CID 175377800
(2S)-2-amino-4-methylpentanoic acid;2-hydroxyacetic acid
CID 160585227

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methylpentanoic acid;methyl 2-hydroxybutanoate?
The IUPAC name of (2S)-2-amino-4-methylpentanoic acid;methyl 2-hydroxybutanoate (CID 131724020) is (2S)-2-amino-4-methylpentanoic acid;methyl 2-hydroxybutanoate.
What is the SMILES notation for (2S)-2-amino-4-methylpentanoic acid;methyl 2-hydroxybutanoate?
The canonical SMILES for (2S)-2-amino-4-methylpentanoic acid;methyl 2-hydroxybutanoate is CC(C)C[C@H](N)C(=O)O.CCC(O)C(=O)OC.
What is the InChIKey of (2S)-2-amino-4-methylpentanoic acid;methyl 2-hydroxybutanoate?
The InChIKey is PKEUWESKUGWZBE-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H13NO2.C5H10O3/c1-4(2)3-5(7)6(8)9;1-3-4(6)5(7)8-2/h4-5H,3,7H2,1-2H3,(H,8,9);4,6H,3H2,1-2H3/t5-;/m0./s1.
What are the key properties of (2S)-2-amino-4-methylpentanoic acid;methyl 2-hydroxybutanoate?
(2S)-2-amino-4-methylpentanoic acid;methyl 2-hydroxybutanoate has a molecular weight of 249.31 g/mol, XLogP of 0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methylpentanoic acid;methyl 2-hydroxybutanoate is sourced from PubChem (CID 131724020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).