2-[carboxymethyl-[[(1R,2S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]amino]acetic acid

C14H23NO4 — CID 129207061

IUPAC2-[carboxymethyl-[[(1R,2S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]amino]acetic acid
SMILESCC1(C)C2CC[C@H](CN(CC(=O)O)CC(=O)O)[C@H]1C2
InChIInChI=1S/C14H23NO4/c1-14(2)10-4-3-9(11(14)5-10)6-15(7-12(16)17)8-13(18)19/h9-11H,3-8H2,1-2H3,(H,16,17)(H,18,19)/t9-,10?,11-/m1/s1
InChIKeyOGKOPNLEZCWHMN-GLYLRITDSA-N
MW269.34 g/mol
LogP1.53
Rot. Bonds6

About 2-[carboxymethyl-[[(1R,2S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]amino]acetic acid

2-[carboxymethyl-[[(1R,2S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]amino]acetic acid (PubChem CID 129207061) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[carboxymethyl-[[(1R,2S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[[(1R,2S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]amino]acetic acid
PubChem CID129207061
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name2-[carboxymethyl-[[(1R,2S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]amino]acetic acid
SMILESCC1(C)C2CC[C@H](CN(CC(=O)O)CC(=O)O)[C@H]1C2
InChIInChI=1S/C14H23NO4/c1-14(2)10-4-3-9(11(14)5-10)6-15(7-12(16)17)8-13(18)19/h9-11H,3-8H2,1-2H3,(H,16,17)(H,18,19)/t9-,10?,11-/m1/s1
InChIKeyOGKOPNLEZCWHMN-GLYLRITDSA-N
XLogP1.53
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[[(1R,2S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[[(1R,2S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]amino]acetic acid (CID 129207061) is 2-[carboxymethyl-[[(1R,2S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[[(1R,2S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[[(1R,2S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]amino]acetic acid is CC1(C)C2CC[C@H](CN(CC(=O)O)CC(=O)O)[C@H]1C2.
What is the InChIKey of 2-[carboxymethyl-[[(1R,2S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]amino]acetic acid?
The InChIKey is OGKOPNLEZCWHMN-GLYLRITDSA-N. The full InChI is InChI=1S/C14H23NO4/c1-14(2)10-4-3-9(11(14)5-10)6-15(7-12(16)17)8-13(18)19/h9-11H,3-8H2,1-2H3,(H,16,17)(H,18,19)/t9-,10?,11-/m1/s1.
What are the key properties of 2-[carboxymethyl-[[(1R,2S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]amino]acetic acid?
2-[carboxymethyl-[[(1R,2S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]amino]acetic acid has a molecular weight of 269.34 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[[(1R,2S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]amino]acetic acid is sourced from PubChem (CID 129207061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).