2-[1-[2-(2-aminoethylamino)-2-oxoethyl]cyclohexyl]acetic acid

C12H22N2O3 — CID 60941419

IUPAC2-[1-[2-(2-aminoethylamino)-2-oxoethyl]cyclohexyl]acetic acid
SMILESNCCNC(=O)CC1(CC(=O)O)CCCCC1
InChIInChI=1S/C12H22N2O3/c13-6-7-14-10(15)8-12(9-11(16)17)4-2-1-3-5-12/h1-9,13H2,(H,14,15)(H,16,17)
InChIKeyYMJFSASLQMUMGN-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.88
Rot. Bonds6

About 2-[1-[2-(2-aminoethylamino)-2-oxoethyl]cyclohexyl]acetic acid

2-[1-[2-(2-aminoethylamino)-2-oxoethyl]cyclohexyl]acetic acid (PubChem CID 60941419) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[1-[2-(2-aminoethylamino)-2-oxoethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(2-aminoethylamino)-2-oxoethyl]cyclohexyl]acetic acid
PubChem CID60941419
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[1-[2-(2-aminoethylamino)-2-oxoethyl]cyclohexyl]acetic acid
SMILESNCCNC(=O)CC1(CC(=O)O)CCCCC1
InChIInChI=1S/C12H22N2O3/c13-6-7-14-10(15)8-12(9-11(16)17)4-2-1-3-5-12/h1-9,13H2,(H,14,15)(H,16,17)
InChIKeyYMJFSASLQMUMGN-UHFFFAOYSA-N
XLogP0.88
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2-[1-(aminomethyl)cyclohexyl]acetamide
CID 104677966
2-[1-[2-[(5-amino-5-oxopentyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 106234667
2-[1-[2-(2-methylsulfonylethylamino)-2-oxoethyl]cyclohexyl]acetic acid
CID 60919907
2-[1-[2-[2-[methyl(propan-2-yl)amino]ethylamino]-2-oxoethyl]cyclohexyl]acetic acid
CID 62641050
2-[1-(aminomethyl)cyclohexyl]-N-(3-aminopropyl)acetamide
CID 104677967
2-[1-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid
CID 65108169
2-[1-[2-(2-cyclobutylethylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 115686502
2-[1-[2-[3-(2-hydroxyethoxy)propylamino]-2-oxoethyl]cyclohexyl]acetic acid
CID 106305125
2-[1-[2-(4-cyanobutylamino)-2-oxoethyl]cyclohexyl]acetic acid
CID 63297334
2-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclohexyl]acetic acid
CID 43235051
2-[1-[2-[2-(methanesulfonamido)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61071499
N-(2-aminoethyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65242364

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-aminoethylamino)-2-oxoethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-(2-aminoethylamino)-2-oxoethyl]cyclohexyl]acetic acid (CID 60941419) is 2-[1-[2-(2-aminoethylamino)-2-oxoethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(2-aminoethylamino)-2-oxoethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-(2-aminoethylamino)-2-oxoethyl]cyclohexyl]acetic acid is NCCNC(=O)CC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[2-(2-aminoethylamino)-2-oxoethyl]cyclohexyl]acetic acid?
The InChIKey is YMJFSASLQMUMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c13-6-7-14-10(15)8-12(9-11(16)17)4-2-1-3-5-12/h1-9,13H2,(H,14,15)(H,16,17).
What are the key properties of 2-[1-[2-(2-aminoethylamino)-2-oxoethyl]cyclohexyl]acetic acid?
2-[1-[2-(2-aminoethylamino)-2-oxoethyl]cyclohexyl]acetic acid has a molecular weight of 242.32 g/mol, XLogP of 0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-aminoethylamino)-2-oxoethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 60941419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).