2-[cyclohex-3-en-1-ylmethylcarbamoyl(2-methylpropyl)amino]acetic acid

C14H24N2O3 — CID 63064057

IUPAC2-[cyclohex-3-en-1-ylmethylcarbamoyl(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)NCC1CC=CCC1
InChIInChI=1S/C14H24N2O3/c1-11(2)9-16(10-13(17)18)14(19)15-8-12-6-4-3-5-7-12/h3-4,11-12H,5-10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyCJCFZPPTARZJSU-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.09
Rot. Bonds6

About 2-[cyclohex-3-en-1-ylmethylcarbamoyl(2-methylpropyl)amino]acetic acid

2-[cyclohex-3-en-1-ylmethylcarbamoyl(2-methylpropyl)amino]acetic acid (PubChem CID 63064057) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[cyclohex-3-en-1-ylmethylcarbamoyl(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclohex-3-en-1-ylmethylcarbamoyl(2-methylpropyl)amino]acetic acid
PubChem CID63064057
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-[cyclohex-3-en-1-ylmethylcarbamoyl(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)NCC1CC=CCC1
InChIInChI=1S/C14H24N2O3/c1-11(2)9-16(10-13(17)18)14(19)15-8-12-6-4-3-5-7-12/h3-4,11-12H,5-10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyCJCFZPPTARZJSU-UHFFFAOYSA-N
XLogP2.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-methylpropyl-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]amino]acetic acid
CID 63064056
propan-2-yl N-(cyclohex-3-en-1-ylmethyl)carbamate
CID 116655281
2-(cyclohex-3-en-1-ylmethylamino)propanoic acid
CID 61499571
3-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-methyl-1-prop-2-enylurea
CID 99823111
3-[cyclohex-3-ene-1-carbonyl(2-methylpropyl)amino]propanoic acid
CID 119189963
2-[carboxymethyl(cyclopentylmethylcarbamoyl)amino]acetic acid
CID 55246133
N-(cyclohex-3-en-1-ylmethyl)-2,2-difluoroacetamide
CID 103515679
1-(cyclohex-3-en-1-ylmethyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 71915662
2-[2-ethylbutylcarbamoyl(2-methylpropyl)amino]acetic acid
CID 113363878
3-(cyclohex-3-en-1-ylmethyl)-1-(2-ethoxyethyl)-1-methylurea
CID 75441330
4-amino-5-(cyclohex-3-en-1-ylmethylamino)-5-oxopentanoic acid
CID 64888191
3-(cyclohex-3-en-1-ylmethylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65263860

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohex-3-en-1-ylmethylcarbamoyl(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[cyclohex-3-en-1-ylmethylcarbamoyl(2-methylpropyl)amino]acetic acid (CID 63064057) is 2-[cyclohex-3-en-1-ylmethylcarbamoyl(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclohex-3-en-1-ylmethylcarbamoyl(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[cyclohex-3-en-1-ylmethylcarbamoyl(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)NCC1CC=CCC1.
What is the InChIKey of 2-[cyclohex-3-en-1-ylmethylcarbamoyl(2-methylpropyl)amino]acetic acid?
The InChIKey is CJCFZPPTARZJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-11(2)9-16(10-13(17)18)14(19)15-8-12-6-4-3-5-7-12/h3-4,11-12H,5-10H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-[cyclohex-3-en-1-ylmethylcarbamoyl(2-methylpropyl)amino]acetic acid?
2-[cyclohex-3-en-1-ylmethylcarbamoyl(2-methylpropyl)amino]acetic acid has a molecular weight of 268.36 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohex-3-en-1-ylmethylcarbamoyl(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 63064057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).