1-[(2-methyloxolan-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid

C12H20N2O4 — CID 82728325

IUPAC1-[(2-methyloxolan-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCC1OCCC1NC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C12H20N2O4/c1-8-9(4-7-18-8)13-11(17)14-12(10(15)16)5-2-3-6-12/h8-9H,2-7H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyPUJNRZLZCQARLF-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.86
Rot. Bonds3

About 1-[(2-methyloxolan-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid

1-[(2-methyloxolan-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 82728325) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-[(2-methyloxolan-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methyloxolan-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID82728325
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name1-[(2-methyloxolan-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCC1OCCC1NC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C12H20N2O4/c1-8-9(4-7-18-8)13-11(17)14-12(10(15)16)5-2-3-6-12/h8-9H,2-7H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyPUJNRZLZCQARLF-UHFFFAOYSA-N
XLogP0.86
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(2-methyloxolan-3-yl)carbamoylamino]cyclopentyl]acetic acid
CID 82729085
1-[(2-methyloxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 79750991
1-[(3-methylcyclopentyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 114548885
1-(cyclooctylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 61181425
4-[(2-hydroxycyclohexyl)carbamoylamino]oxane-4-carboxylic acid
CID 115293125
3-methyl-1-[(2-methylcyclopropyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 62410921
4-[(2,4-dimethylcyclohexyl)carbamoylamino]oxane-4-carboxylic acid
CID 115293206
1-(cyclopentylcarbamoylamino)-4-methylcyclohexane-1-carboxylic acid
CID 16791650
3-methyl-1-[(2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 63279636
1-[(2,2-dimethylcyclohexyl)carbamoylamino]cyclopropane-1-carboxylic acid
CID 79878705
1-(aminomethyl)-N-(2-methyloxolan-3-yl)cyclohexane-1-carboxamide
CID 82726373
2-methyl-4-[(2-methyloxolan-3-yl)carbamoylamino]butanoic acid
CID 82728122

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyloxolan-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(2-methyloxolan-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid (CID 82728325) is 1-[(2-methyloxolan-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-methyloxolan-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(2-methyloxolan-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid is CC1OCCC1NC(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[(2-methyloxolan-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is PUJNRZLZCQARLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-8-9(4-7-18-8)13-11(17)14-12(10(15)16)5-2-3-6-12/h8-9H,2-7H2,1H3,(H,15,16)(H2,13,14,17).
What are the key properties of 1-[(2-methyloxolan-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid?
1-[(2-methyloxolan-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyloxolan-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82728325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).