(E)-5-[(2-methylpropan-2-yl)oxycarbonylamino]pent-3-enoic acid

C10H17NO4 — CID 10375978

IUPAC(E)-5-[(2-methylpropan-2-yl)oxycarbonylamino]pent-3-enoic acid
SMILESCC(C)(C)OC(=O)NC/C=C/CC(=O)O
InChIInChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-7-5-4-6-8(12)13/h4-5H,6-7H2,1-3H3,(H,11,14)(H,12,13)/b5-4+
InChIKeyRWSYZZIWHQZJFU-SNAWJCMRSA-N
MW215.25 g/mol
LogP1.54
Rot. Bonds4

About (E)-5-[(2-methylpropan-2-yl)oxycarbonylamino]pent-3-enoic acid

(E)-5-[(2-methylpropan-2-yl)oxycarbonylamino]pent-3-enoic acid (PubChem CID 10375978) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is (E)-5-[(2-methylpropan-2-yl)oxycarbonylamino]pent-3-enoic acid.

Molecular Properties

Compound Name(E)-5-[(2-methylpropan-2-yl)oxycarbonylamino]pent-3-enoic acid
PubChem CID10375978
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name(E)-5-[(2-methylpropan-2-yl)oxycarbonylamino]pent-3-enoic acid
SMILESCC(C)(C)OC(=O)NC/C=C/CC(=O)O
InChIInChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-7-5-4-6-8(12)13/h4-5H,6-7H2,1-3H3,(H,11,14)(H,12,13)/b5-4+
InChIKeyRWSYZZIWHQZJFU-SNAWJCMRSA-N
XLogP1.54
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-5-[(2-methylpropan-2-yl)oxycarbonylamino]pent-3-enoic acid?
The IUPAC name of (E)-5-[(2-methylpropan-2-yl)oxycarbonylamino]pent-3-enoic acid (CID 10375978) is (E)-5-[(2-methylpropan-2-yl)oxycarbonylamino]pent-3-enoic acid.
What is the SMILES notation for (E)-5-[(2-methylpropan-2-yl)oxycarbonylamino]pent-3-enoic acid?
The canonical SMILES for (E)-5-[(2-methylpropan-2-yl)oxycarbonylamino]pent-3-enoic acid is CC(C)(C)OC(=O)NC/C=C/CC(=O)O.
What is the InChIKey of (E)-5-[(2-methylpropan-2-yl)oxycarbonylamino]pent-3-enoic acid?
The InChIKey is RWSYZZIWHQZJFU-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-7-5-4-6-8(12)13/h4-5H,6-7H2,1-3H3,(H,11,14)(H,12,13)/b5-4+.
What are the key properties of (E)-5-[(2-methylpropan-2-yl)oxycarbonylamino]pent-3-enoic acid?
(E)-5-[(2-methylpropan-2-yl)oxycarbonylamino]pent-3-enoic acid has a molecular weight of 215.25 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[(2-methylpropan-2-yl)oxycarbonylamino]pent-3-enoic acid is sourced from PubChem (CID 10375978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).