3-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)propanoic acid

C12H20N2O3 — CID 55231648

IUPAC3-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)propanoic acid
SMILESO=C(O)CCNC(=O)NCC1CC2CCC1C2
InChIInChI=1S/C12H20N2O3/c15-11(16)3-4-13-12(17)14-7-10-6-8-1-2-9(10)5-8/h8-10H,1-7H2,(H,15,16)(H2,13,14,17)
InChIKeyYPQQUXSGSJXMPS-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.20
Rot. Bonds5

About 3-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)propanoic acid

3-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)propanoic acid (PubChem CID 55231648) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)propanoic acid
PubChem CID55231648
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name3-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)propanoic acid
SMILESO=C(O)CCNC(=O)NCC1CC2CCC1C2
InChIInChI=1S/C12H20N2O3/c15-11(16)3-4-13-12(17)14-7-10-6-8-1-2-9(10)5-8/h8-10H,1-7H2,(H,15,16)(H2,13,14,17)
InChIKeyYPQQUXSGSJXMPS-UHFFFAOYSA-N
XLogP1.20
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 3-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)propanoic acid with MolForge

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Related Compounds

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-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)-5-oxopentanoic acid
CID 63682016
4-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)-2-hydroxybutanoic acid
CID 114007519
1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-ethylurea
CID 27276337
N-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)-2-chloroacetamide
CID 63684817
4-amino-5-(2-bicyclo[2.2.1]heptanylmethylamino)-5-oxopentanoic acid
CID 64888968
3-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]-N-methylpropanamide
CID 71938759
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
2-[(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)methyl]pentanoic acid
CID 65226271
2-[2-(2-bicyclo[2.2.1]heptanylmethylamino)-2-oxoethoxy]acetic acid
CID 63683448
3-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]propanoic acid
CID 16784459

Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)propanoic acid?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)propanoic acid (CID 55231648) is 3-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)propanoic acid.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)propanoic acid?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)propanoic acid is O=C(O)CCNC(=O)NCC1CC2CCC1C2.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)propanoic acid?
The InChIKey is YPQQUXSGSJXMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c15-11(16)3-4-13-12(17)14-7-10-6-8-1-2-9(10)5-8/h8-10H,1-7H2,(H,15,16)(H2,13,14,17).
What are the key properties of 3-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)propanoic acid?
3-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)propanoic acid has a molecular weight of 240.30 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)propanoic acid is sourced from PubChem (CID 55231648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).