2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pent-2-enoic acid

C14H23NO4 — CID 150676601

IUPAC2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pent-2-enoic acid
SMILESCCC=C(C(=O)O)C1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H23NO4/c1-5-7-10(12(16)17)11-8-6-9-15(11)13(18)19-14(2,3)4/h7,11H,5-6,8-9H2,1-4H3,(H,16,17)
InChIKeyJHADDTNRAZDWNC-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.81
Rot. Bonds3

About 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pent-2-enoic acid

2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pent-2-enoic acid (PubChem CID 150676601) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pent-2-enoic acid.

Molecular Properties

Compound Name2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pent-2-enoic acid
PubChem CID150676601
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pent-2-enoic acid
SMILESCCC=C(C(=O)O)C1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H23NO4/c1-5-7-10(12(16)17)11-8-6-9-15(11)13(18)19-14(2,3)4/h7,11H,5-6,8-9H2,1-4H3,(H,16,17)
InChIKeyJHADDTNRAZDWNC-UHFFFAOYSA-N
XLogP2.81
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pent-2-enoic acid?
The IUPAC name of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pent-2-enoic acid (CID 150676601) is 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pent-2-enoic acid.
What is the SMILES notation for 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pent-2-enoic acid?
The canonical SMILES for 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pent-2-enoic acid is CCC=C(C(=O)O)C1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pent-2-enoic acid?
The InChIKey is JHADDTNRAZDWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-5-7-10(12(16)17)11-8-6-9-15(11)13(18)19-14(2,3)4/h7,11H,5-6,8-9H2,1-4H3,(H,16,17).
What are the key properties of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pent-2-enoic acid?
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pent-2-enoic acid has a molecular weight of 269.34 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pent-2-enoic acid is sourced from PubChem (CID 150676601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).