1-[1-(oxolan-3-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid

C13H22N2O4 — CID 113364085

IUPAC1-[1-(oxolan-3-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESCC(NC(=O)NC1(C(=O)O)CCCC1)C1CCOC1
InChIInChI=1S/C13H22N2O4/c1-9(10-4-7-19-8-10)14-12(18)15-13(11(16)17)5-2-3-6-13/h9-10H,2-8H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyUWOJAYDNSHHWAN-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.11
Rot. Bonds4

About 1-[1-(oxolan-3-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid

1-[1-(oxolan-3-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 113364085) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[1-(oxolan-3-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[1-(oxolan-3-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID113364085
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name1-[1-(oxolan-3-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESCC(NC(=O)NC1(C(=O)O)CCCC1)C1CCOC1
InChIInChI=1S/C13H22N2O4/c1-9(10-4-7-19-8-10)14-12(18)15-13(11(16)17)5-2-3-6-13/h9-10H,2-8H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyUWOJAYDNSHHWAN-UHFFFAOYSA-N
XLogP1.11
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclopropylethylcarbamoylamino)cycloheptane-1-carboxylic acid
CID 61198115
3-(1-cyclohexylethylcarbamoylamino)oxolane-3-carboxylic acid
CID 64892875
3-cyclopropyl-2-[1-(oxolan-3-yl)ethylcarbamoylamino]propanoic acid
CID 114189004
1-[(3-methyloxane-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 114240909
(2S)-4-hydroxy-2-[1-(oxolan-3-yl)ethylcarbamoylamino]butanoic acid
CID 107829262
2-methyl-N-[1-(oxolan-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 115868589
2-hydroxy-2-methyl-N-[1-(oxolan-3-yl)ethyl]propanamide
CID 103430535
2-amino-N-[1-(oxolan-3-yl)ethyl]acetamide
CID 115734721
2-methoxy-N-[1-(oxolan-3-yl)ethyl]propanamide
CID 115648955
1-(pentan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 61186660
2-amino-3-methyl-N-[1-(oxolan-3-yl)ethyl]butanamide
CID 115868590
1-(3-ethylpentan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 63842552

Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxolan-3-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[1-(oxolan-3-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid (CID 113364085) is 1-[1-(oxolan-3-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[1-(oxolan-3-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[1-(oxolan-3-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid is CC(NC(=O)NC1(C(=O)O)CCCC1)C1CCOC1.
What is the InChIKey of 1-[1-(oxolan-3-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is UWOJAYDNSHHWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-9(10-4-7-19-8-10)14-12(18)15-13(11(16)17)5-2-3-6-13/h9-10H,2-8H2,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of 1-[1-(oxolan-3-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid?
1-[1-(oxolan-3-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxolan-3-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 113364085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).