4-[[3-(methylamino)-3-oxopropyl]carbamoyl]cyclohexane-1-carboxylic acid

C12H20N2O4 — CID 63782655

IUPAC4-[[3-(methylamino)-3-oxopropyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCNC(=O)CCNC(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C12H20N2O4/c1-13-10(15)6-7-14-11(16)8-2-4-9(5-3-8)12(17)18/h8-9H,2-7H2,1H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyZWSGDVRZCNZIOH-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.13
Rot. Bonds5

About 4-[[3-(methylamino)-3-oxopropyl]carbamoyl]cyclohexane-1-carboxylic acid

4-[[3-(methylamino)-3-oxopropyl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 63782655) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-[[3-(methylamino)-3-oxopropyl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[3-(methylamino)-3-oxopropyl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID63782655
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name4-[[3-(methylamino)-3-oxopropyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCNC(=O)CCNC(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C12H20N2O4/c1-13-10(15)6-7-14-11(16)8-2-4-9(5-3-8)12(17)18/h8-9H,2-7H2,1H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyZWSGDVRZCNZIOH-UHFFFAOYSA-N
XLogP0.13
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[3-(methylamino)-3-oxopropyl]carbamoyl]cyclohexane-1-carboxylic 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

4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 79395809
N-[2-(methylcarbamoylamino)ethyl]cyclopropanecarboxamide
CID 115575200
4-(2-methylsulfonylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784503
4-[2-(diethylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784312
(1S,6R)-6-[[3-(methylamino)-3-oxopropyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962335
4-(7-methyloctylcarbamoyl)cyclohexane-1-carboxylic acid
CID 107817708
4-hydroxy-4-[[[3-(methylamino)-3-oxopropyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 106499287
4-(2-tert-butylsulfanylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120674071
4-[3-(diethylamino)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783797
4-(3-acetamidopropanoylamino)cyclohexane-1-carboxylic acid
CID 60808705
4-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783349
4-(pent-4-ynylcarbamoyl)cyclohexane-1-carboxylic acid
CID 106223186

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(methylamino)-3-oxopropyl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[3-(methylamino)-3-oxopropyl]carbamoyl]cyclohexane-1-carboxylic acid (CID 63782655) is 4-[[3-(methylamino)-3-oxopropyl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[3-(methylamino)-3-oxopropyl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[3-(methylamino)-3-oxopropyl]carbamoyl]cyclohexane-1-carboxylic acid is CNC(=O)CCNC(=O)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[3-(methylamino)-3-oxopropyl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is ZWSGDVRZCNZIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-13-10(15)6-7-14-11(16)8-2-4-9(5-3-8)12(17)18/h8-9H,2-7H2,1H3,(H,13,15)(H,14,16)(H,17,18).
What are the key properties of 4-[[3-(methylamino)-3-oxopropyl]carbamoyl]cyclohexane-1-carboxylic acid?
4-[[3-(methylamino)-3-oxopropyl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(methylamino)-3-oxopropyl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63782655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).