2-[2-(2-cyclopentyloxyethylcarbamoylamino)-2-oxoethoxy]acetic acid

C12H20N2O6 — CID 63828865

IUPAC2-[2-(2-cyclopentyloxyethylcarbamoylamino)-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)NC(=O)NCCOC1CCCC1
InChIInChI=1S/C12H20N2O6/c15-10(7-19-8-11(16)17)14-12(18)13-5-6-20-9-3-1-2-4-9/h9H,1-8H2,(H,16,17)(H2,13,14,15,18)
InChIKeyRBEVKPDARWGXJX-UHFFFAOYSA-N
MW288.30 g/mol
LogP-0.13
Rot. Bonds8

About 2-[2-(2-cyclopentyloxyethylcarbamoylamino)-2-oxoethoxy]acetic acid

2-[2-(2-cyclopentyloxyethylcarbamoylamino)-2-oxoethoxy]acetic acid (PubChem CID 63828865) has the molecular formula C12H20N2O6 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-[2-(2-cyclopentyloxyethylcarbamoylamino)-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(2-cyclopentyloxyethylcarbamoylamino)-2-oxoethoxy]acetic acid
PubChem CID63828865
Molecular FormulaC12H20N2O6
Molecular Weight288.30 g/mol
Exact Mass288.13
IUPAC Name2-[2-(2-cyclopentyloxyethylcarbamoylamino)-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)NC(=O)NCCOC1CCCC1
InChIInChI=1S/C12H20N2O6/c15-10(7-19-8-11(16)17)14-12(18)13-5-6-20-9-3-1-2-4-9/h9H,1-8H2,(H,16,17)(H2,13,14,15,18)
InChIKeyRBEVKPDARWGXJX-UHFFFAOYSA-N
XLogP-0.13
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(2-cyclohexyloxyethylcarbamoylamino)acetyl]amino]acetic acid
CID 63832822
N-(2-cyclohexyloxyethyl)-2-ethoxyacetamide
CID 61217692
1-(2-cyclohexyloxyethyl)-3-methylurea
CID 115588478
2-[2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-oxoethoxy]acetic acid
CID 61329467
2-[2-(cyclopentyloxyamino)-2-oxoethoxy]acetic acid
CID 83228998
N-(2-cyclohexyloxyethyl)-3-(cyclopropylamino)propanamide
CID 63827585
4-(2-cyclopentyloxyethylcarbamoylamino)-2-methylbutanoic acid
CID 80540968
(2R)-2-(2-cyclohexyloxyethylcarbamoylamino)propanoic acid
CID 78952396
4-(2-cyclopentyloxyethylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid
CID 66002250
N-(2-cyclopentyloxyethyl)-3-sulfanylpropanamide
CID 107030121
1-(2-cyclohexyloxyethyl)-3-(2,2,2-trifluoroethyl)urea
CID 113225931
1-[(2-cyclohexyloxyethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115451664

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-cyclopentyloxyethylcarbamoylamino)-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-(2-cyclopentyloxyethylcarbamoylamino)-2-oxoethoxy]acetic acid (CID 63828865) is 2-[2-(2-cyclopentyloxyethylcarbamoylamino)-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-(2-cyclopentyloxyethylcarbamoylamino)-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-(2-cyclopentyloxyethylcarbamoylamino)-2-oxoethoxy]acetic acid is O=C(O)COCC(=O)NC(=O)NCCOC1CCCC1.
What is the InChIKey of 2-[2-(2-cyclopentyloxyethylcarbamoylamino)-2-oxoethoxy]acetic acid?
The InChIKey is RBEVKPDARWGXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O6/c15-10(7-19-8-11(16)17)14-12(18)13-5-6-20-9-3-1-2-4-9/h9H,1-8H2,(H,16,17)(H2,13,14,15,18).
What are the key properties of 2-[2-(2-cyclopentyloxyethylcarbamoylamino)-2-oxoethoxy]acetic acid?
2-[2-(2-cyclopentyloxyethylcarbamoylamino)-2-oxoethoxy]acetic acid has a molecular weight of 288.30 g/mol, XLogP of -0.13, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-cyclopentyloxyethylcarbamoylamino)-2-oxoethoxy]acetic acid is sourced from PubChem (CID 63828865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).