1-[[2-(methylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid

C10H18N2O3 — CID 82238273

IUPAC1-[[2-(methylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
SMILESCNC(=O)CNC1(C(=O)O)CCCCC1
InChIInChI=1S/C10H18N2O3/c1-11-8(13)7-12-10(9(14)15)5-3-2-4-6-10/h12H,2-7H2,1H3,(H,11,13)(H,14,15)
InChIKeyDQPDRJKKTZAZLC-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.11
Rot. Bonds4

About 1-[[2-(methylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid

1-[[2-(methylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 82238273) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-[[2-(methylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(methylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
PubChem CID82238273
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name1-[[2-(methylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
SMILESCNC(=O)CNC1(C(=O)O)CCCCC1
InChIInChI=1S/C10H18N2O3/c1-11-8(13)7-12-10(9(14)15)5-3-2-4-6-10/h12H,2-7H2,1H3,(H,11,13)(H,14,15)
InChIKeyDQPDRJKKTZAZLC-UHFFFAOYSA-N
XLogP0.11
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(methylamino)-2-oxoethyl]carbamoylamino]cycloheptane-1-carboxylic acid
CID 61199319
1-[(2-methoxy-2-oxoethyl)amino]cyclopentane-1-carboxylic acid
CID 114987731
1-[(2-amino-2-oxoethyl)amino]cyclopentane-1-carboxylic acid
CID 82238244
1-(2-hydroxypropylamino)cyclooctane-1-carboxylic acid
CID 82238303
1-(propylamino)cycloheptane-1-carboxylic acid
CID 43754029
1-[[2-oxo-2-(prop-2-ynylamino)ethyl]amino]cyclobutane-1-carboxylic acid
CID 81167570
2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 114989844
1-[(2-amino-2-oxoethyl)amino]cyclobutane-1-carboxylic acid
CID 81167542
1-[[2-(5-methylhexan-2-ylamino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid
CID 81167638
2-[(1-acetylcyclohexyl)amino]acetic acid
CID 22020146
1-(2-methoxyethylamino)cyclohexane-1-carboxylic acid
CID 61340492
1-(2-acetamidoethylamino)cyclohexane-1-carboxylic acid
CID 114988533

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(methylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[2-(methylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid (CID 82238273) is 1-[[2-(methylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(methylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(methylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid is CNC(=O)CNC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[2-(methylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is DQPDRJKKTZAZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-11-8(13)7-12-10(9(14)15)5-3-2-4-6-10/h12H,2-7H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 1-[[2-(methylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
1-[[2-(methylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of 0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(methylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 82238273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).