4-[(2-methoxycyclopentyl)carbamoylamino]oxolane-3-carboxylic acid

C12H20N2O5 — CID 66238773

IUPAC4-[(2-methoxycyclopentyl)carbamoylamino]oxolane-3-carboxylic acid
SMILESCOC1CCCC1NC(=O)NC1COCC1C(=O)O
InChIInChI=1S/C12H20N2O5/c1-18-10-4-2-3-8(10)13-12(17)14-9-6-19-5-7(9)11(15)16/h7-10H,2-6H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyAZBJORKBENTNGP-UHFFFAOYSA-N
MW272.30 g/mol
LogP-0.05
Rot. Bonds4

About 4-[(2-methoxycyclopentyl)carbamoylamino]oxolane-3-carboxylic acid

4-[(2-methoxycyclopentyl)carbamoylamino]oxolane-3-carboxylic acid (PubChem CID 66238773) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-[(2-methoxycyclopentyl)carbamoylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methoxycyclopentyl)carbamoylamino]oxolane-3-carboxylic acid
PubChem CID66238773
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name4-[(2-methoxycyclopentyl)carbamoylamino]oxolane-3-carboxylic acid
SMILESCOC1CCCC1NC(=O)NC1COCC1C(=O)O
InChIInChI=1S/C12H20N2O5/c1-18-10-4-2-3-8(10)13-12(17)14-9-6-19-5-7(9)11(15)16/h7-10H,2-6H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyAZBJORKBENTNGP-UHFFFAOYSA-N
XLogP-0.05
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methoxycyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 64817335
4-[(2-ethylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66239762
4-[(2-methoxy-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66238536
4-[(2,2-dimethylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid
CID 79877784
4-[(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid
CID 107175660
(1S,6R)-6-[(2-methoxycyclopentyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962368
4-(1-cyclopropylethylcarbamoylamino)oxolane-3-carboxylic acid
CID 66241338
1-[(2-methoxycyclopentyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62088973
4-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 115535124
4-[(2-methoxycyclopentyl)carbamoylamino]-4-oxobut-2-enoic acid
CID 76934433
4-[(4-methoxypyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 66239535
N-[(1R,2R)-2-methoxycyclopentyl]-2-methylpropanamide
CID 130650913

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxycyclopentyl)carbamoylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(2-methoxycyclopentyl)carbamoylamino]oxolane-3-carboxylic acid (CID 66238773) is 4-[(2-methoxycyclopentyl)carbamoylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(2-methoxycyclopentyl)carbamoylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(2-methoxycyclopentyl)carbamoylamino]oxolane-3-carboxylic acid is COC1CCCC1NC(=O)NC1COCC1C(=O)O.
What is the InChIKey of 4-[(2-methoxycyclopentyl)carbamoylamino]oxolane-3-carboxylic acid?
The InChIKey is AZBJORKBENTNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-18-10-4-2-3-8(10)13-12(17)14-9-6-19-5-7(9)11(15)16/h7-10H,2-6H2,1H3,(H,15,16)(H2,13,14,17).
What are the key properties of 4-[(2-methoxycyclopentyl)carbamoylamino]oxolane-3-carboxylic acid?
4-[(2-methoxycyclopentyl)carbamoylamino]oxolane-3-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of -0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxycyclopentyl)carbamoylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66238773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).