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

C12H21NO3 — CID 65242914

IUPAC2-[1-[methyl(propanoyl)amino]cyclohexyl]acetic acid
SMILESCCC(=O)N(C)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C12H21NO3/c1-3-10(14)13(2)12(9-11(15)16)7-5-4-6-8-12/h3-9H2,1-2H3,(H,15,16)
InChIKeyRXXXGFVEAFKJNV-UHFFFAOYSA-N
MW227.30 g/mol
LogP2.03
Rot. Bonds4

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

2-[1-[methyl(propanoyl)amino]cyclohexyl]acetic acid (PubChem CID 65242914) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-[1-[methyl(propanoyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[methyl(propanoyl)amino]cyclohexyl]acetic acid
PubChem CID65242914
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-[1-[methyl(propanoyl)amino]cyclohexyl]acetic acid
SMILESCCC(=O)N(C)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C12H21NO3/c1-3-10(14)13(2)12(9-11(15)16)7-5-4-6-8-12/h3-9H2,1-2H3,(H,15,16)
InChIKeyRXXXGFVEAFKJNV-UHFFFAOYSA-N
XLogP2.03
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[acetyl(methyl)amino]cyclohexyl]acetic acid
CID 65238588
2-[1-[[2-[acetyl(methyl)amino]acetyl]-methylamino]cyclohexyl]acetic acid
CID 65238340
2-[1-[3-methoxypropanoyl(methyl)amino]cyclohexyl]acetic acid
CID 65243348
2-[1-(dimethylamino)cycloheptyl]acetic acid
CID 64526393
2-[1-[(1-aminocyclohexanecarbonyl)-methylamino]cyclohexyl]acetic acid
CID 65240691
2-[1-[[cyclopropyl(ethyl)carbamoyl]-methylamino]cyclohexyl]acetic acid
CID 65240704
2-[1-[2-aminobutanoyl(methyl)amino]cyclohexyl]acetic acid
CID 65240551
2-[1-[tert-butylcarbamoyl(methyl)amino]cyclohexyl]acetic acid
CID 65242776
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-ethoxyethyl(methyl)amino]cyclohexyl]acetic acid
CID 65243143
2-[1-[formyl(methyl)amino]cyclohexyl]acetic acid
CID 65242680

Frequently Asked Questions

What is the IUPAC name of 2-[1-[methyl(propanoyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[methyl(propanoyl)amino]cyclohexyl]acetic acid (CID 65242914) is 2-[1-[methyl(propanoyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[methyl(propanoyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[methyl(propanoyl)amino]cyclohexyl]acetic acid is CCC(=O)N(C)C1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[methyl(propanoyl)amino]cyclohexyl]acetic acid?
The InChIKey is RXXXGFVEAFKJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-3-10(14)13(2)12(9-11(15)16)7-5-4-6-8-12/h3-9H2,1-2H3,(H,15,16).
What are the key properties of 2-[1-[methyl(propanoyl)amino]cyclohexyl]acetic acid?
2-[1-[methyl(propanoyl)amino]cyclohexyl]acetic acid has a molecular weight of 227.30 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[methyl(propanoyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 65242914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).