4-amino-5-(cyclohex-3-en-1-ylmethylamino)-5-oxopentanoic acid

C12H20N2O3 — CID 64888191

IUPAC4-amino-5-(cyclohex-3-en-1-ylmethylamino)-5-oxopentanoic acid
SMILESNC(CCC(=O)O)C(=O)NCC1CC=CCC1
InChIInChI=1S/C12H20N2O3/c13-10(6-7-11(15)16)12(17)14-8-9-4-2-1-3-5-9/h1-2,9-10H,3-8,13H2,(H,14,17)(H,15,16)
InChIKeyNYRZJNALYLVEKF-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.65
Rot. Bonds6

About 4-amino-5-(cyclohex-3-en-1-ylmethylamino)-5-oxopentanoic acid

4-amino-5-(cyclohex-3-en-1-ylmethylamino)-5-oxopentanoic acid (PubChem CID 64888191) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 4-amino-5-(cyclohex-3-en-1-ylmethylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-(cyclohex-3-en-1-ylmethylamino)-5-oxopentanoic acid
PubChem CID64888191
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name4-amino-5-(cyclohex-3-en-1-ylmethylamino)-5-oxopentanoic acid
SMILESNC(CCC(=O)O)C(=O)NCC1CC=CCC1
InChIInChI=1S/C12H20N2O3/c13-10(6-7-11(15)16)12(17)14-8-9-4-2-1-3-5-9/h1-2,9-10H,3-8,13H2,(H,14,17)(H,15,16)
InChIKeyNYRZJNALYLVEKF-UHFFFAOYSA-N
XLogP0.65
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-(cyclohex-3-en-1-ylmethyl)-4-methylsulfanylbutanamide
CID 104908311
4-amino-5-[(4-methylcyclohexyl)methylamino]-5-oxopentanoic acid
CID 64889744
N-(cyclohex-3-en-1-ylmethyl)-2,2-difluoroacetamide
CID 103515679
4-amino-5-[(3-hydroxycyclopentyl)methylamino]-5-oxopentanoic acid
CID 106134041
5-amino-N-(cyclohex-3-en-1-ylmethyl)-2-methylpentanamide
CID 104684940
4-amino-5-(2-cyclopentylethylamino)-5-oxopentanoic acid
CID 64887954
4-amino-5-(2-bicyclo[2.2.1]heptanylmethylamino)-5-oxopentanoic acid
CID 64888968
N-(cyclohex-3-en-1-ylmethyl)-2,2,2-trifluoroacetamide
CID 54046672
propan-2-yl N-(cyclohex-3-en-1-ylmethyl)carbamate
CID 116655281
2-[2-(cyclohex-3-en-1-ylmethylcarbamoylamino)phenyl]acetic acid
CID 62534233
(2R)-4-amino-2-(cyclohex-3-en-1-ylmethylcarbamoylamino)-4-oxobutanoic acid
CID 107827339
2-[cyclohex-3-en-1-ylmethylcarbamoyl(2-methylpropyl)amino]acetic acid
CID 63064057

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(cyclohex-3-en-1-ylmethylamino)-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-(cyclohex-3-en-1-ylmethylamino)-5-oxopentanoic acid (CID 64888191) is 4-amino-5-(cyclohex-3-en-1-ylmethylamino)-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-(cyclohex-3-en-1-ylmethylamino)-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-(cyclohex-3-en-1-ylmethylamino)-5-oxopentanoic acid is NC(CCC(=O)O)C(=O)NCC1CC=CCC1.
What is the InChIKey of 4-amino-5-(cyclohex-3-en-1-ylmethylamino)-5-oxopentanoic acid?
The InChIKey is NYRZJNALYLVEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c13-10(6-7-11(15)16)12(17)14-8-9-4-2-1-3-5-9/h1-2,9-10H,3-8,13H2,(H,14,17)(H,15,16).
What are the key properties of 4-amino-5-(cyclohex-3-en-1-ylmethylamino)-5-oxopentanoic acid?
4-amino-5-(cyclohex-3-en-1-ylmethylamino)-5-oxopentanoic acid has a molecular weight of 240.30 g/mol, XLogP of 0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(cyclohex-3-en-1-ylmethylamino)-5-oxopentanoic acid is sourced from PubChem (CID 64888191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).