4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

C10H19NO4 — CID 4712490

IUPAC4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO4/c1-7(5-6-8(12)13)11-9(14)15-10(2,3)4/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13)
InChIKeyCVYVXURBKURNKE-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.76
Rot. Bonds4

About 4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid (PubChem CID 4712490) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
PubChem CID4712490
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO4/c1-7(5-6-8(12)13)11-9(14)15-10(2,3)4/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13)
InChIKeyCVYVXURBKURNKE-UHFFFAOYSA-N
XLogP1.76
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid (CID 4712490) is 4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid is CC(CCC(=O)O)NC(=O)OC(C)(C)C.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The InChIKey is CVYVXURBKURNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-7(5-6-8(12)13)11-9(14)15-10(2,3)4/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13).
What are the key properties of 4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid has a molecular weight of 217.26 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid is sourced from PubChem (CID 4712490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).