2-[(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)methyl]pentanoic acid

C15H26N2O3 — CID 65226271

IUPAC2-[(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)methyl]pentanoic acid
SMILESCCCC(CNC(=O)NCC1CC2CCC1C2)C(=O)O
InChIInChI=1S/C15H26N2O3/c1-2-3-12(14(18)19)8-16-15(20)17-9-13-7-10-4-5-11(13)6-10/h10-13H,2-9H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyPUXKJCIVIFDJFL-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.22
Rot. Bonds7

About 2-[(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)methyl]pentanoic acid

2-[(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)methyl]pentanoic acid (PubChem CID 65226271) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)methyl]pentanoic acid.

Molecular Properties

Compound Name2-[(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)methyl]pentanoic acid
PubChem CID65226271
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)methyl]pentanoic acid
SMILESCCCC(CNC(=O)NCC1CC2CCC1C2)C(=O)O
InChIInChI=1S/C15H26N2O3/c1-2-3-12(14(18)19)8-16-15(20)17-9-13-7-10-4-5-11(13)6-10/h10-13H,2-9H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyPUXKJCIVIFDJFL-UHFFFAOYSA-N
XLogP2.22
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-[(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)methyl]pentanoic acid with MolForge

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Related Compounds

1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-ethylurea
CID 27276337
4-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)-2-hydroxybutanoic acid
CID 114007519
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
3-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)propanoic acid
CID 55231648
2-[[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]methyl]pentanoic acid
CID 65226837
2-[(oxan-2-ylmethylcarbamoylamino)methyl]pentanoic acid
CID 65222628
2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)hexanamide
CID 63684003
(2S)-5-amino-2-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)-5-oxopentanoic acid
CID 63682389
3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoic acid
CID 63682304
2-[2-bicyclo[2.2.1]heptanylmethylcarbamoyl(methyl)amino]butanoic acid
CID 55232840
2-[(methylcarbamoylamino)methyl]pentanoic acid
CID 65217625
2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]pentanoic acid
CID 43630318

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)methyl]pentanoic acid?
The IUPAC name of 2-[(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)methyl]pentanoic acid (CID 65226271) is 2-[(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)methyl]pentanoic acid.
What is the SMILES notation for 2-[(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)methyl]pentanoic acid?
The canonical SMILES for 2-[(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)methyl]pentanoic acid is CCCC(CNC(=O)NCC1CC2CCC1C2)C(=O)O.
What is the InChIKey of 2-[(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)methyl]pentanoic acid?
The InChIKey is PUXKJCIVIFDJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-2-3-12(14(18)19)8-16-15(20)17-9-13-7-10-4-5-11(13)6-10/h10-13H,2-9H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)methyl]pentanoic acid?
2-[(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)methyl]pentanoic acid has a molecular weight of 282.38 g/mol, XLogP of 2.22, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)methyl]pentanoic acid is sourced from PubChem (CID 65226271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).