2-[(2-cyclohexylacetyl)-propan-2-ylamino]acetic acid

C13H23NO3 — CID 60831184

IUPAC2-[(2-cyclohexylacetyl)-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)CC1CCCCC1
InChIInChI=1S/C13H23NO3/c1-10(2)14(9-13(16)17)12(15)8-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3,(H,16,17)
InChIKeyAEMXUWUWOWFBBO-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.28
Rot. Bonds5

About 2-[(2-cyclohexylacetyl)-propan-2-ylamino]acetic acid

2-[(2-cyclohexylacetyl)-propan-2-ylamino]acetic acid (PubChem CID 60831184) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[(2-cyclohexylacetyl)-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-cyclohexylacetyl)-propan-2-ylamino]acetic acid
PubChem CID60831184
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-[(2-cyclohexylacetyl)-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)CC1CCCCC1
InChIInChI=1S/C13H23NO3/c1-10(2)14(9-13(16)17)12(15)8-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3,(H,16,17)
InChIKeyAEMXUWUWOWFBBO-UHFFFAOYSA-N
XLogP2.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-cyclobutylacetyl)-propan-2-ylamino]acetic acid
CID 103925577
2-[butan-2-yl-(2-cyclohexylacetyl)amino]acetic acid
CID 60828230
methyl 2-[(2-cyclohexylacetyl)-propan-2-ylamino]acetate
CID 54945823
2-[[2-(3-methylcyclopentyl)acetyl]-propan-2-ylamino]acetic acid
CID 120580887
N-(3-aminopropyl)-2-cyclohexyl-N-propan-2-ylacetamide
CID 43136622
3-[carboxymethyl-(2-cyclohexylacetyl)amino]-2-methylpropanoic acid
CID 82326124
N-(3-bromopropyl)-2-cyclopentyl-N-propan-2-ylacetamide
CID 80662000
2-[(2-cyclohexylacetyl)-cyclopentylamino]acetic acid
CID 60826296
2-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]-propan-2-ylamino]acetic acid
CID 119198157
2-[[cyclopentyl(methyl)carbamoyl]-propan-2-ylamino]acetic acid
CID 55137125
2-cyclohexyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626347
2-[(2-cyclohexylacetyl)-methylamino]propanoic acid
CID 62627808

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclohexylacetyl)-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(2-cyclohexylacetyl)-propan-2-ylamino]acetic acid (CID 60831184) is 2-[(2-cyclohexylacetyl)-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(2-cyclohexylacetyl)-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(2-cyclohexylacetyl)-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C(=O)CC1CCCCC1.
What is the InChIKey of 2-[(2-cyclohexylacetyl)-propan-2-ylamino]acetic acid?
The InChIKey is AEMXUWUWOWFBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-10(2)14(9-13(16)17)12(15)8-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[(2-cyclohexylacetyl)-propan-2-ylamino]acetic acid?
2-[(2-cyclohexylacetyl)-propan-2-ylamino]acetic acid has a molecular weight of 241.33 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclohexylacetyl)-propan-2-ylamino]acetic acid is sourced from PubChem (CID 60831184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).