1-[(oxolan-3-ylmethylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid

C13H22N2O4 — CID 113309357

IUPAC1-[(oxolan-3-ylmethylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
SMILESO=C(NCC1CCOC1)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C13H22N2O4/c16-11(17)13(4-1-2-5-13)9-15-12(18)14-7-10-3-6-19-8-10/h10H,1-9H2,(H,16,17)(H2,14,15,18)
InChIKeyJSEWNNIBXPPYKB-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.97
Rot. Bonds5

About 1-[(oxolan-3-ylmethylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid

1-[(oxolan-3-ylmethylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid (PubChem CID 113309357) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[(oxolan-3-ylmethylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(oxolan-3-ylmethylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
PubChem CID113309357
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name1-[(oxolan-3-ylmethylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
SMILESO=C(NCC1CCOC1)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C13H22N2O4/c16-11(17)13(4-1-2-5-13)9-15-12(18)14-7-10-3-6-19-8-10/h10H,1-9H2,(H,16,17)(H2,14,15,18)
InChIKeyJSEWNNIBXPPYKB-UHFFFAOYSA-N
XLogP0.97
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(oxolan-3-ylmethylcarbamoylamino)methyl]cycloheptane-1-carboxylic acid
CID 115444790
1-[(oxan-4-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436924
1-[(cyclobutylmethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115451238
1-[[(3-methylcyclopentyl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 107414720
1-[(thiolan-3-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 107297586
1-[[(1-methylpiperidin-4-yl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446682
1-[(2-cyclopropylethylcarbamoylamino)methyl]cycloheptane-1-carboxylic acid
CID 115444820
1-[[(1,1-dioxothiolan-3-yl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115451556
3-(oxolan-3-ylmethylcarbamoylamino)benzoic acid
CID 55118965
2-[1-[2-oxo-2-(oxolan-3-ylmethylamino)ethyl]cyclopentyl]acetic acid
CID 61072039
1-[(thian-2-ylmethylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 115434461
1-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 107419976

Frequently Asked Questions

What is the IUPAC name of 1-[(oxolan-3-ylmethylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(oxolan-3-ylmethylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid (CID 113309357) is 1-[(oxolan-3-ylmethylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(oxolan-3-ylmethylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(oxolan-3-ylmethylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid is O=C(NCC1CCOC1)NCC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[(oxolan-3-ylmethylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is JSEWNNIBXPPYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c16-11(17)13(4-1-2-5-13)9-15-12(18)14-7-10-3-6-19-8-10/h10H,1-9H2,(H,16,17)(H2,14,15,18).
What are the key properties of 1-[(oxolan-3-ylmethylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid?
1-[(oxolan-3-ylmethylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(oxolan-3-ylmethylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 113309357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).