2-[1-[(1-aminocyclohexanecarbonyl)-methylamino]cyclohexyl]acetic acid

C16H28N2O3 — CID 65240691

IUPAC2-[1-[(1-aminocyclohexanecarbonyl)-methylamino]cyclohexyl]acetic acid
SMILESCN(C(=O)C1(N)CCCCC1)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C16H28N2O3/c1-18(14(21)16(17)10-6-3-7-11-16)15(12-13(19)20)8-4-2-5-9-15/h2-12,17H2,1H3,(H,19,20)
InChIKeyCITKRAHDRRZKTD-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.28
Rot. Bonds4

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

2-[1-[(1-aminocyclohexanecarbonyl)-methylamino]cyclohexyl]acetic acid (PubChem CID 65240691) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[1-[(1-aminocyclohexanecarbonyl)-methylamino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(1-aminocyclohexanecarbonyl)-methylamino]cyclohexyl]acetic acid
PubChem CID65240691
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-[1-[(1-aminocyclohexanecarbonyl)-methylamino]cyclohexyl]acetic acid
SMILESCN(C(=O)C1(N)CCCCC1)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C16H28N2O3/c1-18(14(21)16(17)10-6-3-7-11-16)15(12-13(19)20)8-4-2-5-9-15/h2-12,17H2,1H3,(H,19,20)
InChIKeyCITKRAHDRRZKTD-UHFFFAOYSA-N
XLogP2.28
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[acetyl(methyl)amino]cyclohexyl]acetic acid
CID 65238588
2-[1-[methyl(propanoyl)amino]cyclohexyl]acetic acid
CID 65242914
2-[1-(dimethylamino)cycloheptyl]acetic acid
CID 64526393
2-[1-[[(2S)-2-aminopropanoyl]-methylamino]cyclohexyl]acetic acid
CID 65240598
2-[1-[[(2R)-2-aminopropanoyl]-methylamino]cyclohexyl]acetic acid
CID 79005049
2-[1-[2-aminobutanoyl(methyl)amino]cyclohexyl]acetic acid
CID 65240551
2-[1-[(3-amino-3-oxopropyl)carbamoyl-methylamino]cyclohexyl]acetic acid
CID 65240416
2-[1-[tert-butylcarbamoyl(methyl)amino]cyclohexyl]acetic acid
CID 65242776
2-[1-[[2-[acetyl(methyl)amino]acetyl]-methylamino]cyclohexyl]acetic acid
CID 65238340
2-[1-[cyclopropylmethylcarbamoyl(methyl)amino]cyclohexyl]acetic acid
CID 65241040
2-[1-[formyl(methyl)amino]cyclohexyl]acetic acid
CID 65242680
2-[1-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]cyclohexyl]acetic acid
CID 81368303

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-aminocyclohexanecarbonyl)-methylamino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(1-aminocyclohexanecarbonyl)-methylamino]cyclohexyl]acetic acid (CID 65240691) is 2-[1-[(1-aminocyclohexanecarbonyl)-methylamino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(1-aminocyclohexanecarbonyl)-methylamino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(1-aminocyclohexanecarbonyl)-methylamino]cyclohexyl]acetic acid is CN(C(=O)C1(N)CCCCC1)C1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[(1-aminocyclohexanecarbonyl)-methylamino]cyclohexyl]acetic acid?
The InChIKey is CITKRAHDRRZKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-18(14(21)16(17)10-6-3-7-11-16)15(12-13(19)20)8-4-2-5-9-15/h2-12,17H2,1H3,(H,19,20).
What are the key properties of 2-[1-[(1-aminocyclohexanecarbonyl)-methylamino]cyclohexyl]acetic acid?
2-[1-[(1-aminocyclohexanecarbonyl)-methylamino]cyclohexyl]acetic acid has a molecular weight of 296.41 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-aminocyclohexanecarbonyl)-methylamino]cyclohexyl]acetic acid is sourced from PubChem (CID 65240691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).