3-(oxan-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid

C13H22N2O4 — CID 66032045

IUPAC3-(oxan-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NCC1CCCCO1)NC1CCC(C(=O)O)C1
InChIInChI=1S/C13H22N2O4/c16-12(17)9-4-5-10(7-9)15-13(18)14-8-11-3-1-2-6-19-11/h9-11H,1-8H2,(H,16,17)(H2,14,15,18)
InChIKeyIZENWVKQBVANCI-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.11
Rot. Bonds4

About 3-(oxan-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid

3-(oxan-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid (PubChem CID 66032045) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-(oxan-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(oxan-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
PubChem CID66032045
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name3-(oxan-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NCC1CCCCO1)NC1CCC(C(=O)O)C1
InChIInChI=1S/C13H22N2O4/c16-12(17)9-4-5-10(7-9)15-13(18)14-8-11-3-1-2-6-19-11/h9-11H,1-8H2,(H,16,17)(H2,14,15,18)
InChIKeyIZENWVKQBVANCI-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

3-(oxan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63044466
1-cyclopropyl-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 129365048
1-cyclohexyl-3-(oxolan-2-ylmethyl)urea
CID 2886315
1-cyclooctyl-3-(oxolan-2-ylmethyl)urea
CID 75865148
3-[3-(oxan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 66030722
cis-(1R,3S)-3-[3-(oxan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 106320914
cis-(1R,3S)-3-(cyclopropylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106323981
1-(azepan-3-yl)-3-(oxan-2-ylmethyl)urea
CID 117235074
1-cyclopropyl-3-[2-(oxan-2-yl)ethyl]urea
CID 103975410
3-(oxolan-2-ylmethylamino)cyclobutane-1-carboxylic acid
CID 117027700
cis-(1R,3S)-3-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321445
cis-(1R,3S)-3-[(3-methylcyclopentyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 114173106

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(oxan-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid (CID 66032045) is 3-(oxan-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(oxan-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(oxan-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid is O=C(NCC1CCCCO1)NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-(oxan-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is IZENWVKQBVANCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c16-12(17)9-4-5-10(7-9)15-13(18)14-8-11-3-1-2-6-19-11/h9-11H,1-8H2,(H,16,17)(H2,14,15,18).
What are the key properties of 3-(oxan-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid?
3-(oxan-2-ylmethylcarbamoylamino)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 3-(oxan-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66032045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).