3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-2-enylcyclopentane-1-carboxylic acid

C14H23NO4 — CID 67113604

IUPAC3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-2-enylcyclopentane-1-carboxylic acid
SMILESC=CCC1(NC(=O)OC(C)(C)C)CCC(C(=O)O)C1
InChIInChI=1S/C14H23NO4/c1-5-7-14(8-6-10(9-14)11(16)17)15-12(18)19-13(2,3)4/h5,10H,1,6-9H2,2-4H3,(H,15,18)(H,16,17)
InChIKeySYALBYGINMUFKW-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.71
Rot. Bonds4

About 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-2-enylcyclopentane-1-carboxylic acid

3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-2-enylcyclopentane-1-carboxylic acid (PubChem CID 67113604) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-2-enylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-2-enylcyclopentane-1-carboxylic acid
PubChem CID67113604
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-2-enylcyclopentane-1-carboxylic acid
SMILESC=CCC1(NC(=O)OC(C)(C)C)CCC(C(=O)O)C1
InChIInChI=1S/C14H23NO4/c1-5-7-14(8-6-10(9-14)11(16)17)15-12(18)19-13(2,3)4/h5,10H,1,6-9H2,2-4H3,(H,15,18)(H,16,17)
InChIKeySYALBYGINMUFKW-UHFFFAOYSA-N
XLogP2.71
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(1-prop-2-enylcyclopentyl)carbamate
CID 91758204
tert-butyl N-[(1S,2R)-2-[(2R)-1-hydroxypropan-2-yl]-1-prop-2-enylcyclopentyl]carbamate
CID 10956996
trans-(1R,2S)-2-ethenyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid
CID 10376443
tert-butyl N-[1-(2-oxobut-3-enyl)cyclopentyl]carbamate
CID 165465025
tert-butyl N-(4-amino-4-prop-2-enylcyclohexyl)carbamate
CID 172506424
(1S,3S,5R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.1.0]hexane-3-carboxylic acid
CID 131042947
tert-butyl N-[(1S,2S)-2-ethenyl-1-iodocyclopropyl]carbamate
CID 89201848
(E)-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]but-2-enoic acid
CID 10729698
1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1,2-dicarboxylic acid
CID 23182235
tert-butyl N-[(1S,2R)-1-acetyl-2-ethenylcyclopropyl]carbamate
CID 59554078
tert-butyl N-[1-(bromomethyl)-3-methylcyclohexyl]carbamate
CID 114314705
tert-butyl N-[1-[(prop-2-enoylamino)methyl]cyclohexyl]carbamate
CID 139520312

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-2-enylcyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-2-enylcyclopentane-1-carboxylic acid (CID 67113604) is 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-2-enylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-2-enylcyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-2-enylcyclopentane-1-carboxylic acid is C=CCC1(NC(=O)OC(C)(C)C)CCC(C(=O)O)C1.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-2-enylcyclopentane-1-carboxylic acid?
The InChIKey is SYALBYGINMUFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-5-7-14(8-6-10(9-14)11(16)17)15-12(18)19-13(2,3)4/h5,10H,1,6-9H2,2-4H3,(H,15,18)(H,16,17).
What are the key properties of 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-2-enylcyclopentane-1-carboxylic acid?
3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-2-enylcyclopentane-1-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-2-enylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 67113604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).