2-[1-[tert-butylcarbamoyl(methyl)amino]cyclohexyl]acetic acid

C14H26N2O3 — CID 65242776

IUPAC2-[1-[tert-butylcarbamoyl(methyl)amino]cyclohexyl]acetic acid
SMILESCN(C(=O)NC(C)(C)C)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C14H26N2O3/c1-13(2,3)15-12(19)16(4)14(10-11(17)18)8-6-5-7-9-14/h5-10H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyWYKSIYIHIBXQSA-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.60
Rot. Bonds3

About 2-[1-[tert-butylcarbamoyl(methyl)amino]cyclohexyl]acetic acid

2-[1-[tert-butylcarbamoyl(methyl)amino]cyclohexyl]acetic acid (PubChem CID 65242776) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[1-[tert-butylcarbamoyl(methyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[tert-butylcarbamoyl(methyl)amino]cyclohexyl]acetic acid
PubChem CID65242776
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[1-[tert-butylcarbamoyl(methyl)amino]cyclohexyl]acetic acid
SMILESCN(C(=O)NC(C)(C)C)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C14H26N2O3/c1-13(2,3)15-12(19)16(4)14(10-11(17)18)8-6-5-7-9-14/h5-10H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyWYKSIYIHIBXQSA-UHFFFAOYSA-N
XLogP2.60
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[1-[tert-butylcarbamoyl(methyl)amino]cyclohexyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[acetyl(methyl)amino]cyclohexyl]acetic acid
CID 65238588
2-[1-[methyl(propanoyl)amino]cyclohexyl]acetic acid
CID 65242914
2-[1-[cyclopropylmethylcarbamoyl(methyl)amino]cyclohexyl]acetic acid
CID 65241040
2-[1-(dimethylamino)cycloheptyl]acetic acid
CID 64526393
2-[1-[(3-amino-3-oxopropyl)carbamoyl-methylamino]cyclohexyl]acetic acid
CID 65240416
2-[1-[(3-hydroxy-3-methylbutyl)-methylamino]cyclohexyl]acetic acid
CID 79354977
2-[1-[methyl(piperidin-4-ylcarbamoyl)amino]cyclohexyl]acetic acid
CID 65240806
2-[1-[hexan-3-ylcarbamoyl(methyl)amino]cyclohexyl]acetic acid
CID 65240709
2-[1-[(1-aminocyclohexanecarbonyl)-methylamino]cyclohexyl]acetic acid
CID 65240691
2-[1-[[(2R)-2-aminopropanoyl]-methylamino]cyclohexyl]acetic acid
CID 79005049
2-[1-[[(2S)-2-aminopropanoyl]-methylamino]cyclohexyl]acetic acid
CID 65240598
2-[1-[[2-[acetyl(methyl)amino]acetyl]-methylamino]cyclohexyl]acetic acid
CID 65238340

Frequently Asked Questions

What is the IUPAC name of 2-[1-[tert-butylcarbamoyl(methyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[tert-butylcarbamoyl(methyl)amino]cyclohexyl]acetic acid (CID 65242776) is 2-[1-[tert-butylcarbamoyl(methyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[tert-butylcarbamoyl(methyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[tert-butylcarbamoyl(methyl)amino]cyclohexyl]acetic acid is CN(C(=O)NC(C)(C)C)C1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[tert-butylcarbamoyl(methyl)amino]cyclohexyl]acetic acid?
The InChIKey is WYKSIYIHIBXQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-13(2,3)15-12(19)16(4)14(10-11(17)18)8-6-5-7-9-14/h5-10H2,1-4H3,(H,15,19)(H,17,18).
What are the key properties of 2-[1-[tert-butylcarbamoyl(methyl)amino]cyclohexyl]acetic acid?
2-[1-[tert-butylcarbamoyl(methyl)amino]cyclohexyl]acetic acid has a molecular weight of 270.37 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[tert-butylcarbamoyl(methyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 65242776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).