1-[bis(prop-2-enyl)carbamoylamino]cyclopentane-1-carboxylic acid

C13H20N2O3 — CID 61192725

IUPAC1-[bis(prop-2-enyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESC=CCN(CC=C)C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C13H20N2O3/c1-3-9-15(10-4-2)12(18)14-13(11(16)17)7-5-6-8-13/h3-4H,1-2,5-10H2,(H,14,18)(H,16,17)
InChIKeyQDKOUPYFZZYZRD-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.77
Rot. Bonds6

About 1-[bis(prop-2-enyl)carbamoylamino]cyclopentane-1-carboxylic acid

1-[bis(prop-2-enyl)carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 61192725) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-[bis(prop-2-enyl)carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[bis(prop-2-enyl)carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID61192725
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-[bis(prop-2-enyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESC=CCN(CC=C)C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C13H20N2O3/c1-3-9-15(10-4-2)12(18)14-13(11(16)17)7-5-6-8-13/h3-4H,1-2,5-10H2,(H,14,18)(H,16,17)
InChIKeyQDKOUPYFZZYZRD-UHFFFAOYSA-N
XLogP1.77
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[bis(prop-2-enyl)carbamoylamino]-4-ethylcyclohexane-1-carboxylic acid
CID 61192726
1-[[ethyl(propyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61195465
1-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]cycloheptane-1-carboxylic acid
CID 61449694
1-[[ethyl(2-hydroxyethyl)carbamoyl]amino]cyclobutane-1-carboxylic acid
CID 81163295
1-[[2-ethoxyethyl(ethyl)carbamoyl]amino]cycloheptane-1-carboxylic acid
CID 63691822
1-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 107481655
1-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 55227355
1-[[methyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61196038
1-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]cyclobutane-1-carboxylic acid
CID 102995551
1-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 79379384
1-(hept-6-enylcarbamoylamino)cycloheptane-1-carboxylic acid
CID 107006348
1-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]cycloheptane-1-carboxylic acid
CID 113426147

Frequently Asked Questions

What is the IUPAC name of 1-[bis(prop-2-enyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[bis(prop-2-enyl)carbamoylamino]cyclopentane-1-carboxylic acid (CID 61192725) is 1-[bis(prop-2-enyl)carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[bis(prop-2-enyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[bis(prop-2-enyl)carbamoylamino]cyclopentane-1-carboxylic acid is C=CCN(CC=C)C(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[bis(prop-2-enyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is QDKOUPYFZZYZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-9-15(10-4-2)12(18)14-13(11(16)17)7-5-6-8-13/h3-4H,1-2,5-10H2,(H,14,18)(H,16,17).
What are the key properties of 1-[bis(prop-2-enyl)carbamoylamino]cyclopentane-1-carboxylic acid?
1-[bis(prop-2-enyl)carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 252.31 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(prop-2-enyl)carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 61192725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).