7-(cyclohexylmethylcarbamoylamino)heptanoic acid

C15H28N2O3 — CID 61197262

IUPAC7-(cyclohexylmethylcarbamoylamino)heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)NCC1CCCCC1
InChIInChI=1S/C15H28N2O3/c18-14(19)10-6-1-2-7-11-16-15(20)17-12-13-8-4-3-5-9-13/h13H,1-12H2,(H,18,19)(H2,16,17,20)
InChIKeyLENIPDFWQGDIFT-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.90
Rot. Bonds9

About 7-(cyclohexylmethylcarbamoylamino)heptanoic acid

7-(cyclohexylmethylcarbamoylamino)heptanoic acid (PubChem CID 61197262) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 7-(cyclohexylmethylcarbamoylamino)heptanoic acid.

Molecular Properties

Compound Name7-(cyclohexylmethylcarbamoylamino)heptanoic acid
PubChem CID61197262
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name7-(cyclohexylmethylcarbamoylamino)heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)NCC1CCCCC1
InChIInChI=1S/C15H28N2O3/c18-14(19)10-6-1-2-7-11-16-15(20)17-12-13-8-4-3-5-9-13/h13H,1-12H2,(H,18,19)(H2,16,17,20)
InChIKeyLENIPDFWQGDIFT-UHFFFAOYSA-N
XLogP2.90
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(cycloheptylmethylcarbamoylamino)butanoic acid
CID 122016431
1-(cyclopentylmethyl)-3-(5-hydroxypentyl)urea
CID 108902594
6-(cyclooctylcarbamoylamino)hexanoic acid
CID 61181259
7-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]heptanoic acid
CID 61206222
6-(oxan-2-ylmethylcarbamoylamino)hexanoic acid
CID 55013881
5-(thiolan-3-ylmethylcarbamoylamino)pentanoic acid
CID 107297414
1-(cyclobutylmethyl)-3-(cyclohexylmethyl)urea
CID 155200065
4-(cyclohexylmethylamino)butanoic acid
CID 24705289
7-(3-cyclopentylpropanoylamino)heptanoic acid
CID 24697400
6-(3-cyclopentylpropanoylamino)hexanoic acid
CID 16784943
5-(cyclopentylmethylcarbamoylamino)-5-oxopentanoic acid
CID 43371300
7-(cyclooctanecarbonylamino)heptanoic acid
CID 65019467

Frequently Asked Questions

What is the IUPAC name of 7-(cyclohexylmethylcarbamoylamino)heptanoic acid?
The IUPAC name of 7-(cyclohexylmethylcarbamoylamino)heptanoic acid (CID 61197262) is 7-(cyclohexylmethylcarbamoylamino)heptanoic acid.
What is the SMILES notation for 7-(cyclohexylmethylcarbamoylamino)heptanoic acid?
The canonical SMILES for 7-(cyclohexylmethylcarbamoylamino)heptanoic acid is O=C(O)CCCCCCNC(=O)NCC1CCCCC1.
What is the InChIKey of 7-(cyclohexylmethylcarbamoylamino)heptanoic acid?
The InChIKey is LENIPDFWQGDIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c18-14(19)10-6-1-2-7-11-16-15(20)17-12-13-8-4-3-5-9-13/h13H,1-12H2,(H,18,19)(H2,16,17,20).
What are the key properties of 7-(cyclohexylmethylcarbamoylamino)heptanoic acid?
7-(cyclohexylmethylcarbamoylamino)heptanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.90, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexylmethylcarbamoylamino)heptanoic acid is sourced from PubChem (CID 61197262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).