3-[[2-[acetyl(methyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid

C12H20N2O4 — CID 63043639

IUPAC3-[[2-[acetyl(methyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCC(=O)N(C)CC(=O)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C12H20N2O4/c1-8(15)14(2)7-11(16)13-10-5-3-4-9(6-10)12(17)18/h9-10H,3-7H2,1-2H3,(H,13,16)(H,17,18)
InChIKeyQISYUIIPQNFHEV-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.22
Rot. Bonds4

About 3-[[2-[acetyl(methyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid

3-[[2-[acetyl(methyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 63043639) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-[[2-[acetyl(methyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[2-[acetyl(methyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID63043639
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name3-[[2-[acetyl(methyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCC(=O)N(C)CC(=O)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C12H20N2O4/c1-8(15)14(2)7-11(16)13-10-5-3-4-9(6-10)12(17)18/h9-10H,3-7H2,1-2H3,(H,13,16)(H,17,18)
InChIKeyQISYUIIPQNFHEV-UHFFFAOYSA-N
XLogP0.22
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[methyl(2-methylbutyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63044097
3-[[2-(butan-2-ylamino)acetyl]amino]cyclohexane-1-carboxylic acid
CID 63043134
cis-(1S,3R)-3-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120676181
3-(3-methylpentanoylamino)cyclohexane-1-carboxylic acid
CID 114873705
cis-(1S,3R)-3-methylcyclohexane-1-carboxylic acid;N-[(1S,3R)-3-methylcyclohexyl]acetamide
CID 158462495
3-[[2-(azetidin-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 64610824
3-[(3-methylcyclohexyl)amino]-3-oxopropanoic acid
CID 62229888
3-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63041946
3-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63043742
3-[[2-methyl-2-(methylamino)propanoyl]amino]cyclohexane-1-carboxylic acid
CID 63044575
3-[[2-(1-methoxycyclobutyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 103555615
3-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63043737

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[acetyl(methyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[[2-[acetyl(methyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid (CID 63043639) is 3-[[2-[acetyl(methyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[[2-[acetyl(methyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[[2-[acetyl(methyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid is CC(=O)N(C)CC(=O)NC1CCCC(C(=O)O)C1.
What is the InChIKey of 3-[[2-[acetyl(methyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is QISYUIIPQNFHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-8(15)14(2)7-11(16)13-10-5-3-4-9(6-10)12(17)18/h9-10H,3-7H2,1-2H3,(H,13,16)(H,17,18).
What are the key properties of 3-[[2-[acetyl(methyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid?
3-[[2-[acetyl(methyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[acetyl(methyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63043639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).