4-[2-(cyclopenten-1-yl)ethylcarbamoylamino]oxane-4-carboxylic acid

C14H22N2O4 — CID 106178328

IUPAC4-[2-(cyclopenten-1-yl)ethylcarbamoylamino]oxane-4-carboxylic acid
SMILESO=C(NCCC1=CCCC1)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C14H22N2O4/c17-12(18)14(6-9-20-10-7-14)16-13(19)15-8-5-11-3-1-2-4-11/h3H,1-2,4-10H2,(H,17,18)(H2,15,16,19)
InChIKeyRNVQOVXYUWUYSS-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.42
Rot. Bonds5

About 4-[2-(cyclopenten-1-yl)ethylcarbamoylamino]oxane-4-carboxylic acid

4-[2-(cyclopenten-1-yl)ethylcarbamoylamino]oxane-4-carboxylic acid (PubChem CID 106178328) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-[2-(cyclopenten-1-yl)ethylcarbamoylamino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[2-(cyclopenten-1-yl)ethylcarbamoylamino]oxane-4-carboxylic acid
PubChem CID106178328
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name4-[2-(cyclopenten-1-yl)ethylcarbamoylamino]oxane-4-carboxylic acid
SMILESO=C(NCCC1=CCCC1)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C14H22N2O4/c17-12(18)14(6-9-20-10-7-14)16-13(19)15-8-5-11-3-1-2-4-11/h3H,1-2,4-10H2,(H,17,18)(H2,15,16,19)
InChIKeyRNVQOVXYUWUYSS-UHFFFAOYSA-N
XLogP1.42
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(cyclohexen-1-yl)ethylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 107855984
4-(2-phenylethylcarbamoylamino)oxane-4-carboxylic acid
CID 115292784
1-[2-(cyclopenten-1-yl)ethyl]-3-(oxan-4-yl)urea
CID 127648179
4-[2-(1-methylimidazol-2-yl)ethylcarbamoylamino]oxane-4-carboxylic acid
CID 115293095
4-(2-cyclohexylethylcarbamoylamino)oxane-4-carboxylic acid
CID 115292915
3-[[2-(cyclohexen-1-yl)acetyl]amino]oxolane-3-carboxylic acid
CID 64889233
1-[2-(cyclohepten-1-yl)ethyl]-3-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)urea
CID 122138899
4-[[2-(methylamino)-2-oxoethyl]carbamoylamino]oxane-4-carboxylic acid
CID 113280419
4-[(4-hydroxyphenyl)methylcarbamoylamino]oxane-4-carboxylic acid
CID 106528154
5-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-2-methylpentanoic acid
CID 106178518
4-(cyclopentylmethylcarbamoylamino)oxane-4-carboxylic acid
CID 115292855
1-[2-(cyclohexen-1-yl)ethyl]-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 30312311

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopenten-1-yl)ethylcarbamoylamino]oxane-4-carboxylic acid?
The IUPAC name of 4-[2-(cyclopenten-1-yl)ethylcarbamoylamino]oxane-4-carboxylic acid (CID 106178328) is 4-[2-(cyclopenten-1-yl)ethylcarbamoylamino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[2-(cyclopenten-1-yl)ethylcarbamoylamino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[2-(cyclopenten-1-yl)ethylcarbamoylamino]oxane-4-carboxylic acid is O=C(NCCC1=CCCC1)NC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-[2-(cyclopenten-1-yl)ethylcarbamoylamino]oxane-4-carboxylic acid?
The InChIKey is RNVQOVXYUWUYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c17-12(18)14(6-9-20-10-7-14)16-13(19)15-8-5-11-3-1-2-4-11/h3H,1-2,4-10H2,(H,17,18)(H2,15,16,19).
What are the key properties of 4-[2-(cyclopenten-1-yl)ethylcarbamoylamino]oxane-4-carboxylic acid?
4-[2-(cyclopenten-1-yl)ethylcarbamoylamino]oxane-4-carboxylic acid has a molecular weight of 282.34 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopenten-1-yl)ethylcarbamoylamino]oxane-4-carboxylic acid is sourced from PubChem (CID 106178328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).