2-[2-[[2-(aminomethyl)cyclohexanecarbonyl]amino]ethoxy]acetic acid

C12H22N2O4 — CID 79457580

IUPAC2-[2-[[2-(aminomethyl)cyclohexanecarbonyl]amino]ethoxy]acetic acid
SMILESNCC1CCCCC1C(=O)NCCOCC(=O)O
InChIInChI=1S/C12H22N2O4/c13-7-9-3-1-2-4-10(9)12(17)14-5-6-18-8-11(15)16/h9-10H,1-8,13H2,(H,14,17)(H,15,16)
InChIKeyUWZCWFOGMVGFDL-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.03
Rot. Bonds7

About 2-[2-[[2-(aminomethyl)cyclohexanecarbonyl]amino]ethoxy]acetic acid

2-[2-[[2-(aminomethyl)cyclohexanecarbonyl]amino]ethoxy]acetic acid (PubChem CID 79457580) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[2-[[2-(aminomethyl)cyclohexanecarbonyl]amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-(aminomethyl)cyclohexanecarbonyl]amino]ethoxy]acetic acid
PubChem CID79457580
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-[2-[[2-(aminomethyl)cyclohexanecarbonyl]amino]ethoxy]acetic acid
SMILESNCC1CCCCC1C(=O)NCCOCC(=O)O
InChIInChI=1S/C12H22N2O4/c13-7-9-3-1-2-4-10(9)12(17)14-5-6-18-8-11(15)16/h9-10H,1-8,13H2,(H,14,17)(H,15,16)
InChIKeyUWZCWFOGMVGFDL-UHFFFAOYSA-N
XLogP-0.03
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.03
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

2-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]cyclohexane-1-carboxamide
CID 114097955
2-(aminomethyl)-N-(3,3-dimethylbutyl)cyclopentane-1-carboxamide
CID 115747505
2-(aminomethyl)-N-(4,4,4-trifluorobutyl)cyclohexane-1-carboxamide
CID 113327463
2-(aminomethyl)-N-(2-amino-2-oxoethoxy)cyclohexane-1-carboxamide
CID 112674216
2-(aminomethyl)-N-(5-hydroxypentyl)cyclopentane-1-carboxamide
CID 107317629
4-[[2-(aminomethyl)cyclohexanecarbonyl]amino]-3-methylbutanoic acid
CID 81073388
4-[[2-(aminomethyl)cyclopentanecarbonyl]amino]-2-methylbutanoic acid
CID 80539395
2-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclohexane-1-carboxamide
CID 106047668
4-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 106240401
3-[[2-(aminomethyl)cyclohexanecarbonyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66175768
2-[2-(azetidine-3-carbonylamino)ethoxy]acetic acid
CID 79456951
cis-(1S,2R)-2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 106234746

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(aminomethyl)cyclohexanecarbonyl]amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[[2-(aminomethyl)cyclohexanecarbonyl]amino]ethoxy]acetic acid (CID 79457580) is 2-[2-[[2-(aminomethyl)cyclohexanecarbonyl]amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[2-(aminomethyl)cyclohexanecarbonyl]amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[[2-(aminomethyl)cyclohexanecarbonyl]amino]ethoxy]acetic acid is NCC1CCCCC1C(=O)NCCOCC(=O)O.
What is the InChIKey of 2-[2-[[2-(aminomethyl)cyclohexanecarbonyl]amino]ethoxy]acetic acid?
The InChIKey is UWZCWFOGMVGFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c13-7-9-3-1-2-4-10(9)12(17)14-5-6-18-8-11(15)16/h9-10H,1-8,13H2,(H,14,17)(H,15,16).
What are the key properties of 2-[2-[[2-(aminomethyl)cyclohexanecarbonyl]amino]ethoxy]acetic acid?
2-[2-[[2-(aminomethyl)cyclohexanecarbonyl]amino]ethoxy]acetic acid has a molecular weight of 258.32 g/mol, XLogP of -0.03, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(aminomethyl)cyclohexanecarbonyl]amino]ethoxy]acetic acid is sourced from PubChem (CID 79457580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).