5-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)-5-oxopentanoic acid

C14H22N2O4 — CID 63682016

IUPAC5-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NC(=O)NCC1CC2CCC1C2
InChIInChI=1S/C14H22N2O4/c17-12(2-1-3-13(18)19)16-14(20)15-8-11-7-9-4-5-10(11)6-9/h9-11H,1-8H2,(H,18,19)(H2,15,16,17,20)
InChIKeyALTBPWZGYFURTG-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.50
Rot. Bonds6

About 5-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)-5-oxopentanoic acid

5-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)-5-oxopentanoic acid (PubChem CID 63682016) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 5-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)-5-oxopentanoic acid
PubChem CID63682016
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name5-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NC(=O)NCC1CC2CCC1C2
InChIInChI=1S/C14H22N2O4/c17-12(2-1-3-13(18)19)16-14(20)15-8-11-7-9-4-5-10(11)6-9/h9-11H,1-8H2,(H,18,19)(H2,15,16,17,20)
InChIKeyALTBPWZGYFURTG-UHFFFAOYSA-N
XLogP1.50
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)-5-oxopentanoic 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

3-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)propanoic acid
CID 55231648
N-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)-2-chloroacetamide
CID 63684817
1-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-[4-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylcarbamoylamino]butyl]urea
CID 124546515
5-(cyclopentylmethylcarbamoylamino)-5-oxopentanoic acid
CID 43371300
1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-ethylurea
CID 27276337
(Z)-7-(2-bicyclo[2.2.1]heptanyl)hept-5-enoic acid
CID 70511264
2-[2-(2-bicyclo[2.2.1]heptanylmethylamino)-2-oxoethoxy]acetic acid
CID 63683448
4-amino-5-(2-bicyclo[2.2.1]heptanylmethylamino)-5-oxopentanoic acid
CID 64888968
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-3-oxobutanamide
CID 98153784
1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-cyclohexylurea
CID 26974944
1-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylurea
CID 4682793
5-[(1,1-dioxothiolan-3-yl)methylcarbamoylamino]-5-oxopentanoic acid
CID 62132707

Frequently Asked Questions

What is the IUPAC name of 5-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)-5-oxopentanoic acid?
The IUPAC name of 5-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)-5-oxopentanoic acid (CID 63682016) is 5-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)-5-oxopentanoic acid.
What is the SMILES notation for 5-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)-5-oxopentanoic acid?
The canonical SMILES for 5-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)-5-oxopentanoic acid is O=C(O)CCCC(=O)NC(=O)NCC1CC2CCC1C2.
What is the InChIKey of 5-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)-5-oxopentanoic acid?
The InChIKey is ALTBPWZGYFURTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c17-12(2-1-3-13(18)19)16-14(20)15-8-11-7-9-4-5-10(11)6-9/h9-11H,1-8H2,(H,18,19)(H2,15,16,17,20).
What are the key properties of 5-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)-5-oxopentanoic acid?
5-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)-5-oxopentanoic acid has a molecular weight of 282.34 g/mol, XLogP of 1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)-5-oxopentanoic acid is sourced from PubChem (CID 63682016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).