2-[1-[[2-(methylamino)acetyl]amino]cyclohexyl]acetic acid

C11H20N2O3 — CID 64684909

IUPAC2-[1-[[2-(methylamino)acetyl]amino]cyclohexyl]acetic acid
SMILESCNCC(=O)NC1(CC(=O)O)CCCCC1
InChIInChI=1S/C11H20N2O3/c1-12-8-9(14)13-11(7-10(15)16)5-3-2-4-6-11/h12H,2-8H2,1H3,(H,13,14)(H,15,16)
InChIKeyJMOKXLWGVUCBOA-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.50
Rot. Bonds5

About 2-[1-[[2-(methylamino)acetyl]amino]cyclohexyl]acetic acid

2-[1-[[2-(methylamino)acetyl]amino]cyclohexyl]acetic acid (PubChem CID 64684909) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[1-[[2-(methylamino)acetyl]amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-(methylamino)acetyl]amino]cyclohexyl]acetic acid
PubChem CID64684909
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[1-[[2-(methylamino)acetyl]amino]cyclohexyl]acetic acid
SMILESCNCC(=O)NC1(CC(=O)O)CCCCC1
InChIInChI=1S/C11H20N2O3/c1-12-8-9(14)13-11(7-10(15)16)5-3-2-4-6-11/h12H,2-8H2,1H3,(H,13,14)(H,15,16)
InChIKeyJMOKXLWGVUCBOA-UHFFFAOYSA-N
XLogP0.50
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentyl]acetic acid
CID 65241615
2-[1-[4-(methylamino)butanoylamino]cyclopentyl]acetic acid
CID 64702109
2-[1-[[2-[(2-aminoacetyl)amino]acetyl]amino]cyclohexyl]acetic acid
CID 64685700
2-[1-[(2-methylsulfanylacetyl)amino]cyclohexyl]acetic acid
CID 64671362
2-[1-(3-methylsulfanylpropanoylamino)cyclohexyl]acetic acid
CID 64671361
2-[1-(3-methoxypropanoylamino)cyclohexyl]acetic acid
CID 64672330
2-[1-[[2-(1-aminocyclobutyl)acetyl]amino]cyclohexyl]acetic acid
CID 79854754
2-[1-[(4-amino-3-methylbutanoyl)amino]cyclohexyl]acetic acid
CID 81080778
2-[1-[3-(propan-2-ylamino)propanoylamino]cyclopentyl]acetic acid
CID 64702277
2-[1-[(4-amino-4-methylpentanoyl)amino]cyclohexyl]acetic acid
CID 64686097
2-[1-(3-methylpentanoylamino)cyclopentyl]acetic acid
CID 114873756
2-[1-[(2-phenylacetyl)amino]cyclohexyl]acetic acid
CID 64671959

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(methylamino)acetyl]amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[[2-(methylamino)acetyl]amino]cyclohexyl]acetic acid (CID 64684909) is 2-[1-[[2-(methylamino)acetyl]amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-(methylamino)acetyl]amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[[2-(methylamino)acetyl]amino]cyclohexyl]acetic acid is CNCC(=O)NC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[[2-(methylamino)acetyl]amino]cyclohexyl]acetic acid?
The InChIKey is JMOKXLWGVUCBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-12-8-9(14)13-11(7-10(15)16)5-3-2-4-6-11/h12H,2-8H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[1-[[2-(methylamino)acetyl]amino]cyclohexyl]acetic acid?
2-[1-[[2-(methylamino)acetyl]amino]cyclohexyl]acetic acid has a molecular weight of 228.29 g/mol, XLogP of 0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(methylamino)acetyl]amino]cyclohexyl]acetic acid is sourced from PubChem (CID 64684909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).