4-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]cyclohexane-1-carboxylic acid

C12H20N2O5 — CID 106240401

IUPAC4-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESNC(=O)COCCNC(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C12H20N2O5/c13-10(15)7-19-6-5-14-11(16)8-1-3-9(4-2-8)12(17)18/h8-9H,1-7H2,(H2,13,15)(H,14,16)(H,17,18)
InChIKeyVQEADWIRCIGCEM-UHFFFAOYSA-N
MW272.30 g/mol
LogP-0.50
Rot. Bonds7

About 4-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]cyclohexane-1-carboxylic acid

4-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 106240401) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID106240401
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name4-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESNC(=O)COCCNC(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C12H20N2O5/c13-10(15)7-19-6-5-14-11(16)8-1-3-9(4-2-8)12(17)18/h8-9H,1-7H2,(H2,13,15)(H,14,16)(H,17,18)
InChIKeyVQEADWIRCIGCEM-UHFFFAOYSA-N
XLogP-0.50
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cis-(1S,2R)-2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 106234746
5-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 106234765
3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-5-methylcyclohexane-1-carboxamide
CID 106241360
2-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 106239325
2-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 106239832
4-amino-N-[2-(cyclopropylmethoxy)ethyl]cyclohexane-1-carboxamide
CID 103795970
5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2,4-dimethylcyclohexane-1-carboxamide
CID 106241357
2-[2-(azetidine-3-carbonylamino)ethoxy]acetic acid
CID 79456951
2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylcyclohexane-1-carboxamide
CID 106241354
ethane;N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylcyclohexane-1-carboxamide
CID 177357452
2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl-cyclopropylamino]acetic acid
CID 106239260
cis-(1S,3R)-3-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092359

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]cyclohexane-1-carboxylic acid (CID 106240401) is 4-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]cyclohexane-1-carboxylic acid is NC(=O)COCCNC(=O)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is VQEADWIRCIGCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c13-10(15)7-19-6-5-14-11(16)8-1-3-9(4-2-8)12(17)18/h8-9H,1-7H2,(H2,13,15)(H,14,16)(H,17,18).
What are the key properties of 4-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
4-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of -0.50, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 106240401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).