(2S)-2-(furan-2-carbonylamino)-4-methylpentanoic acid

C11H15NO4 — CID 774282

IUPAC(2S)-2-(furan-2-carbonylamino)-4-methylpentanoic acid
SMILESCC(C)C[C@H](NC(=O)c1ccco1)C(=O)O
InChIInChI=1S/C11H15NO4/c1-7(2)6-8(11(14)15)12-10(13)9-4-3-5-16-9/h3-5,7-8H,6H2,1-2H3,(H,12,13)(H,14,15)/t8-/m0/s1
InChIKeyLXBURZIESWDWIV-QMMMGPOBSA-N
MW225.24 g/mol
LogP1.51
Rot. Bonds5

About (2S)-2-(furan-2-carbonylamino)-4-methylpentanoic acid

(2S)-2-(furan-2-carbonylamino)-4-methylpentanoic acid (PubChem CID 774282) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is (2S)-2-(furan-2-carbonylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-(furan-2-carbonylamino)-4-methylpentanoic acid
PubChem CID774282
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name(2S)-2-(furan-2-carbonylamino)-4-methylpentanoic acid
SMILESCC(C)C[C@H](NC(=O)c1ccco1)C(=O)O
InChIInChI=1S/C11H15NO4/c1-7(2)6-8(11(14)15)12-10(13)9-4-3-5-16-9/h3-5,7-8H,6H2,1-2H3,(H,12,13)(H,14,15)/t8-/m0/s1
InChIKeyLXBURZIESWDWIV-QMMMGPOBSA-N
XLogP1.51
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(furan-2-carbonylamino)-4-methylpentanoic acid?
The IUPAC name of (2S)-2-(furan-2-carbonylamino)-4-methylpentanoic acid (CID 774282) is (2S)-2-(furan-2-carbonylamino)-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-(furan-2-carbonylamino)-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-(furan-2-carbonylamino)-4-methylpentanoic acid is CC(C)C[C@H](NC(=O)c1ccco1)C(=O)O.
What is the InChIKey of (2S)-2-(furan-2-carbonylamino)-4-methylpentanoic acid?
The InChIKey is LXBURZIESWDWIV-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15NO4/c1-7(2)6-8(11(14)15)12-10(13)9-4-3-5-16-9/h3-5,7-8H,6H2,1-2H3,(H,12,13)(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-2-(furan-2-carbonylamino)-4-methylpentanoic acid?
(2S)-2-(furan-2-carbonylamino)-4-methylpentanoic acid has a molecular weight of 225.24 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(furan-2-carbonylamino)-4-methylpentanoic acid is sourced from PubChem (CID 774282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).