(2S)-2-amino-4-methylpentanoic acid;furan-2-ol

C10H17NO4 — CID 90119436

IUPAC(2S)-2-amino-4-methylpentanoic acid;furan-2-ol
SMILESCC(C)C[C@H](N)C(=O)O.Oc1ccco1
InChIInChI=1S/C6H13NO2.C4H4O2/c1-4(2)3-5(7)6(8)9;5-4-2-1-3-6-4/h4-5H,3,7H2,1-2H3,(H,8,9);1-3,5H/t5-;/m0./s1
InChIKeyYGFKPPDYCYABRW-JEDNCBNOSA-N
MW215.25 g/mol
LogP1.43
Rot. Bonds3

About (2S)-2-amino-4-methylpentanoic acid;furan-2-ol

(2S)-2-amino-4-methylpentanoic acid;furan-2-ol (PubChem CID 90119436) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is (2S)-2-amino-4-methylpentanoic acid;furan-2-ol.

Molecular Properties

Compound Name(2S)-2-amino-4-methylpentanoic acid;furan-2-ol
PubChem CID90119436
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name(2S)-2-amino-4-methylpentanoic acid;furan-2-ol
SMILESCC(C)C[C@H](N)C(=O)O.Oc1ccco1
InChIInChI=1S/C6H13NO2.C4H4O2/c1-4(2)3-5(7)6(8)9;5-4-2-1-3-6-4/h4-5H,3,7H2,1-2H3,(H,8,9);1-3,5H/t5-;/m0./s1
InChIKeyYGFKPPDYCYABRW-JEDNCBNOSA-N
XLogP1.43
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methylpentanoic acid;furan-2-ol?
The IUPAC name of (2S)-2-amino-4-methylpentanoic acid;furan-2-ol (CID 90119436) is (2S)-2-amino-4-methylpentanoic acid;furan-2-ol.
What is the SMILES notation for (2S)-2-amino-4-methylpentanoic acid;furan-2-ol?
The canonical SMILES for (2S)-2-amino-4-methylpentanoic acid;furan-2-ol is CC(C)C[C@H](N)C(=O)O.Oc1ccco1.
What is the InChIKey of (2S)-2-amino-4-methylpentanoic acid;furan-2-ol?
The InChIKey is YGFKPPDYCYABRW-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H13NO2.C4H4O2/c1-4(2)3-5(7)6(8)9;5-4-2-1-3-6-4/h4-5H,3,7H2,1-2H3,(H,8,9);1-3,5H/t5-;/m0./s1.
What are the key properties of (2S)-2-amino-4-methylpentanoic acid;furan-2-ol?
(2S)-2-amino-4-methylpentanoic acid;furan-2-ol has a molecular weight of 215.25 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methylpentanoic acid;furan-2-ol is sourced from PubChem (CID 90119436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).