2-[2-(acetamidomethyl)-2-bicyclo[2.2.1]heptanyl]acetic acid

C12H19NO3 — CID 19361926

IUPAC2-[2-(acetamidomethyl)-2-bicyclo[2.2.1]heptanyl]acetic acid
SMILESCC(=O)NCC1(CC(=O)O)CC2CCC1C2
InChIInChI=1S/C12H19NO3/c1-8(14)13-7-12(6-11(15)16)5-9-2-3-10(12)4-9/h9-10H,2-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyQAPHPNMMFBWMPC-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.40
Rot. Bonds4

About 2-[2-(acetamidomethyl)-2-bicyclo[2.2.1]heptanyl]acetic acid

2-[2-(acetamidomethyl)-2-bicyclo[2.2.1]heptanyl]acetic acid (PubChem CID 19361926) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[2-(acetamidomethyl)-2-bicyclo[2.2.1]heptanyl]acetic acid.

Molecular Properties

Compound Name2-[2-(acetamidomethyl)-2-bicyclo[2.2.1]heptanyl]acetic acid
PubChem CID19361926
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-[2-(acetamidomethyl)-2-bicyclo[2.2.1]heptanyl]acetic acid
SMILESCC(=O)NCC1(CC(=O)O)CC2CCC1C2
InChIInChI=1S/C12H19NO3/c1-8(14)13-7-12(6-11(15)16)5-9-2-3-10(12)4-9/h9-10H,2-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyQAPHPNMMFBWMPC-UHFFFAOYSA-N
XLogP1.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(acetamidomethyl)-2-bicyclo[2.2.1]heptanyl]acetic acid?
The IUPAC name of 2-[2-(acetamidomethyl)-2-bicyclo[2.2.1]heptanyl]acetic acid (CID 19361926) is 2-[2-(acetamidomethyl)-2-bicyclo[2.2.1]heptanyl]acetic acid.
What is the SMILES notation for 2-[2-(acetamidomethyl)-2-bicyclo[2.2.1]heptanyl]acetic acid?
The canonical SMILES for 2-[2-(acetamidomethyl)-2-bicyclo[2.2.1]heptanyl]acetic acid is CC(=O)NCC1(CC(=O)O)CC2CCC1C2.
What is the InChIKey of 2-[2-(acetamidomethyl)-2-bicyclo[2.2.1]heptanyl]acetic acid?
The InChIKey is QAPHPNMMFBWMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-8(14)13-7-12(6-11(15)16)5-9-2-3-10(12)4-9/h9-10H,2-7H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[2-(acetamidomethyl)-2-bicyclo[2.2.1]heptanyl]acetic acid?
2-[2-(acetamidomethyl)-2-bicyclo[2.2.1]heptanyl]acetic acid has a molecular weight of 225.29 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(acetamidomethyl)-2-bicyclo[2.2.1]heptanyl]acetic acid is sourced from PubChem (CID 19361926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).