3-[3-[cyclohexyl(methyl)amino]propylamino]-3-oxopropanoic acid

C13H24N2O3 — CID 62230930

IUPAC3-[3-[cyclohexyl(methyl)amino]propylamino]-3-oxopropanoic acid
SMILESCN(CCCNC(=O)CC(=O)O)C1CCCCC1
InChIInChI=1S/C13H24N2O3/c1-15(11-6-3-2-4-7-11)9-5-8-14-12(16)10-13(17)18/h11H,2-10H2,1H3,(H,14,16)(H,17,18)
InChIKeyFYMCVRFFGOSYSX-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.23
Rot. Bonds7

About 3-[3-[cyclohexyl(methyl)amino]propylamino]-3-oxopropanoic acid

3-[3-[cyclohexyl(methyl)amino]propylamino]-3-oxopropanoic acid (PubChem CID 62230930) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[3-[cyclohexyl(methyl)amino]propylamino]-3-oxopropanoic acid.

Molecular Properties

Compound Name3-[3-[cyclohexyl(methyl)amino]propylamino]-3-oxopropanoic acid
PubChem CID62230930
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name3-[3-[cyclohexyl(methyl)amino]propylamino]-3-oxopropanoic acid
SMILESCN(CCCNC(=O)CC(=O)O)C1CCCCC1
InChIInChI=1S/C13H24N2O3/c1-15(11-6-3-2-4-7-11)9-5-8-14-12(16)10-13(17)18/h11H,2-10H2,1H3,(H,14,16)(H,17,18)
InChIKeyFYMCVRFFGOSYSX-UHFFFAOYSA-N
XLogP1.23
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-[3-[cyclohexyl(methyl)amino]propyl]hexanamide
CID 60981769
2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide
CID 107904686
2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide
CID 54880376
2-[3-[cyclohexyl(methyl)amino]propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60980682
2-(2-aminoethoxy)-N-[3-[cyclohexyl(methyl)amino]propyl]acetamide
CID 79473004
3-[cyclododecyl(methyl)amino]propanoic acid
CID 65063573
2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]butanamide
CID 55126074
N-[3-[cyclohexyl(methyl)amino]propyl]-2-methoxypropanamide
CID 112685751
2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]-2-methylpropanamide
CID 114328325
3-[5-[cyclohexyl(methyl)amino]pentyl]-1,1-dimethylurea
CID 110443807
3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-2-methylbutanamide;dihydrochloride
CID 120503009
3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-2,2,3-trimethylbutanamide
CID 65269336

Frequently Asked Questions

What is the IUPAC name of 3-[3-[cyclohexyl(methyl)amino]propylamino]-3-oxopropanoic acid?
The IUPAC name of 3-[3-[cyclohexyl(methyl)amino]propylamino]-3-oxopropanoic acid (CID 62230930) is 3-[3-[cyclohexyl(methyl)amino]propylamino]-3-oxopropanoic acid.
What is the SMILES notation for 3-[3-[cyclohexyl(methyl)amino]propylamino]-3-oxopropanoic acid?
The canonical SMILES for 3-[3-[cyclohexyl(methyl)amino]propylamino]-3-oxopropanoic acid is CN(CCCNC(=O)CC(=O)O)C1CCCCC1.
What is the InChIKey of 3-[3-[cyclohexyl(methyl)amino]propylamino]-3-oxopropanoic acid?
The InChIKey is FYMCVRFFGOSYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-15(11-6-3-2-4-7-11)9-5-8-14-12(16)10-13(17)18/h11H,2-10H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 3-[3-[cyclohexyl(methyl)amino]propylamino]-3-oxopropanoic acid?
3-[3-[cyclohexyl(methyl)amino]propylamino]-3-oxopropanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[cyclohexyl(methyl)amino]propylamino]-3-oxopropanoic acid is sourced from PubChem (CID 62230930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).