1-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid

C14H22N2O3 — CID 115445947

IUPAC1-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
SMILESNC1C2CCC(C2)C1C(=O)NCC1(C(=O)O)CCC1
InChIInChI=1S/C14H22N2O3/c15-11-9-3-2-8(6-9)10(11)12(17)16-7-14(13(18)19)4-1-5-14/h8-11H,1-7,15H2,(H,16,17)(H,18,19)
InChIKeyGUFIBAKPVBBUAX-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.73
Rot. Bonds4

About 1-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid

1-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 115445947) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
PubChem CID115445947
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
SMILESNC1C2CCC(C2)C1C(=O)NCC1(C(=O)O)CCC1
InChIInChI=1S/C14H22N2O3/c15-11-9-3-2-8(6-9)10(11)12(17)16-7-14(13(18)19)4-1-5-14/h8-11H,1-7,15H2,(H,16,17)(H,18,19)
InChIKeyGUFIBAKPVBBUAX-UHFFFAOYSA-N
XLogP0.73
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid (CID 115445947) is 1-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid is NC1C2CCC(C2)C1C(=O)NCC1(C(=O)O)CCC1.
What is the InChIKey of 1-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is GUFIBAKPVBBUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c15-11-9-3-2-8(6-9)10(11)12(17)16-7-14(13(18)19)4-1-5-14/h8-11H,1-7,15H2,(H,16,17)(H,18,19).
What are the key properties of 1-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid?
1-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115445947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).