(2S)-4-methyl-2-(propan-2-yloxycarbonylamino)pentanoic acid

C10H19NO4 — CID 78976710

IUPAC(2S)-4-methyl-2-(propan-2-yloxycarbonylamino)pentanoic acid
SMILESCC(C)C[C@H](NC(=O)OC(C)C)C(=O)O
InChIInChI=1S/C10H19NO4/c1-6(2)5-8(9(12)13)11-10(14)15-7(3)4/h6-8H,5H2,1-4H3,(H,11,14)(H,12,13)/t8-/m0/s1
InChIKeyFQROXDSJFXVSJU-QMMMGPOBSA-N
MW217.26 g/mol
LogP1.62
Rot. Bonds5

About (2S)-4-methyl-2-(propan-2-yloxycarbonylamino)pentanoic acid

(2S)-4-methyl-2-(propan-2-yloxycarbonylamino)pentanoic acid (PubChem CID 78976710) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is (2S)-4-methyl-2-(propan-2-yloxycarbonylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-(propan-2-yloxycarbonylamino)pentanoic acid
PubChem CID78976710
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name(2S)-4-methyl-2-(propan-2-yloxycarbonylamino)pentanoic acid
SMILESCC(C)C[C@H](NC(=O)OC(C)C)C(=O)O
InChIInChI=1S/C10H19NO4/c1-6(2)5-8(9(12)13)11-10(14)15-7(3)4/h6-8H,5H2,1-4H3,(H,11,14)(H,12,13)/t8-/m0/s1
InChIKeyFQROXDSJFXVSJU-QMMMGPOBSA-N
XLogP1.62
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-(propan-2-yloxycarbonylamino)pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-(propan-2-yloxycarbonylamino)pentanoic acid (CID 78976710) is (2S)-4-methyl-2-(propan-2-yloxycarbonylamino)pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-(propan-2-yloxycarbonylamino)pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-(propan-2-yloxycarbonylamino)pentanoic acid is CC(C)C[C@H](NC(=O)OC(C)C)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-(propan-2-yloxycarbonylamino)pentanoic acid?
The InChIKey is FQROXDSJFXVSJU-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H19NO4/c1-6(2)5-8(9(12)13)11-10(14)15-7(3)4/h6-8H,5H2,1-4H3,(H,11,14)(H,12,13)/t8-/m0/s1.
What are the key properties of (2S)-4-methyl-2-(propan-2-yloxycarbonylamino)pentanoic acid?
(2S)-4-methyl-2-(propan-2-yloxycarbonylamino)pentanoic acid has a molecular weight of 217.26 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-(propan-2-yloxycarbonylamino)pentanoic acid is sourced from PubChem (CID 78976710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).