2-[(2-acetamidoacetyl)amino]cyclohexane-1-carboxylic acid

C11H18N2O4 — CID 64814150

IUPAC2-[(2-acetamidoacetyl)amino]cyclohexane-1-carboxylic acid
SMILESCC(=O)NCC(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C11H18N2O4/c1-7(14)12-6-10(15)13-9-5-3-2-4-8(9)11(16)17/h8-9H,2-6H2,1H3,(H,12,14)(H,13,15)(H,16,17)
InChIKeyASFSQCCEEMFINJ-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.12
Rot. Bonds4

About 2-[(2-acetamidoacetyl)amino]cyclohexane-1-carboxylic acid

2-[(2-acetamidoacetyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 64814150) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-[(2-acetamidoacetyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-acetamidoacetyl)amino]cyclohexane-1-carboxylic acid
PubChem CID64814150
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name2-[(2-acetamidoacetyl)amino]cyclohexane-1-carboxylic acid
SMILESCC(=O)NCC(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C11H18N2O4/c1-7(14)12-6-10(15)13-9-5-3-2-4-8(9)11(16)17/h8-9H,2-6H2,1H3,(H,12,14)(H,13,15)(H,16,17)
InChIKeyASFSQCCEEMFINJ-UHFFFAOYSA-N
XLogP-0.12
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]cyclohexane-1-carboxylic acid
CID 64812284
2-acetamido-N-[(1S,2S)-2-hydroxycyclooctyl]acetamide
CID 146041857
4-[(2-acetamidoacetyl)amino]oxolane-3-carboxylic acid
CID 66221855
2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 64817864
2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 64817296
cis-(1S,2R)-2-[[2-(cyclohexylamino)acetyl]amino]cyclohexane-1-carboxylic acid
CID 167012042
2-acetamido-N-[2-(aminomethyl)cyclohexyl]acetamide;hydrochloride
CID 119610509
2-[[2-(propylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 64813097
2-[(2-methoxyacetyl)amino]cyclopentane-1-carboxylic acid
CID 64814951
cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxylic acid
CID 66806131
cis-(1S,2R)-2-[[2-(ethylamino)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 114091717
2-[[(Z)-2-methylbut-2-enoyl]amino]cyclohexane-1-carboxylic acid
CID 115909861

Frequently Asked Questions

What is the IUPAC name of 2-[(2-acetamidoacetyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(2-acetamidoacetyl)amino]cyclohexane-1-carboxylic acid (CID 64814150) is 2-[(2-acetamidoacetyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-acetamidoacetyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(2-acetamidoacetyl)amino]cyclohexane-1-carboxylic acid is CC(=O)NCC(=O)NC1CCCCC1C(=O)O.
What is the InChIKey of 2-[(2-acetamidoacetyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is ASFSQCCEEMFINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-7(14)12-6-10(15)13-9-5-3-2-4-8(9)11(16)17/h8-9H,2-6H2,1H3,(H,12,14)(H,13,15)(H,16,17).
What are the key properties of 2-[(2-acetamidoacetyl)amino]cyclohexane-1-carboxylic acid?
2-[(2-acetamidoacetyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 242.27 g/mol, XLogP of -0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-acetamidoacetyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64814150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).