2-[4-(2-bicyclo[2.2.1]heptanylmethyl)morpholin-2-yl]acetic acid

C14H23NO3 — CID 79558606

IUPAC2-[4-(2-bicyclo[2.2.1]heptanylmethyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(CC2CC3CCC2C3)CCO1
InChIInChI=1S/C14H23NO3/c16-14(17)7-13-9-15(3-4-18-13)8-12-6-10-1-2-11(12)5-10/h10-13H,1-9H2,(H,16,17)
InChIKeyVNCZAKDJPDARLN-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.60
Rot. Bonds4

About 2-[4-(2-bicyclo[2.2.1]heptanylmethyl)morpholin-2-yl]acetic acid

2-[4-(2-bicyclo[2.2.1]heptanylmethyl)morpholin-2-yl]acetic acid (PubChem CID 79558606) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-[4-(2-bicyclo[2.2.1]heptanylmethyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-bicyclo[2.2.1]heptanylmethyl)morpholin-2-yl]acetic acid
PubChem CID79558606
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-[4-(2-bicyclo[2.2.1]heptanylmethyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(CC2CC3CCC2C3)CCO1
InChIInChI=1S/C14H23NO3/c16-14(17)7-13-9-15(3-4-18-13)8-12-6-10-1-2-11(12)5-10/h10-13H,1-9H2,(H,16,17)
InChIKeyVNCZAKDJPDARLN-UHFFFAOYSA-N
XLogP1.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66433923
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 11457802
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 98460088
2-[4-(cyanomethyl)morpholin-2-yl]acetic acid
CID 66435228
2-[4-[(3,3-difluorocyclohexyl)methyl]morpholin-2-yl]acetic acid
CID 114224344
2-(4-but-3-ynylmorpholin-2-yl)acetic acid
CID 66434270
2-[4-(2-cyanoethyl)morpholin-2-yl]acetic acid
CID 66435629
2-[1-(2-bicyclo[2.2.1]heptanylmethyl)azetidin-3-yl]propanoic acid
CID 116683695
2-[4-[(2,5-dimethylphenyl)methyl]morpholin-2-yl]acetic acid
CID 66433908
2-[4-(4-methylpentyl)morpholin-2-yl]acetic acid
CID 83158040
2-[4-(2-bicyclo[2.2.1]heptanylmethyl)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid
CID 80520271
2-[4-(2-hydroxy-2-methylbutyl)morpholin-2-yl]acetic acid
CID 114495022

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bicyclo[2.2.1]heptanylmethyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(2-bicyclo[2.2.1]heptanylmethyl)morpholin-2-yl]acetic acid (CID 79558606) is 2-[4-(2-bicyclo[2.2.1]heptanylmethyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-bicyclo[2.2.1]heptanylmethyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2-bicyclo[2.2.1]heptanylmethyl)morpholin-2-yl]acetic acid is O=C(O)CC1CN(CC2CC3CCC2C3)CCO1.
What is the InChIKey of 2-[4-(2-bicyclo[2.2.1]heptanylmethyl)morpholin-2-yl]acetic acid?
The InChIKey is VNCZAKDJPDARLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c16-14(17)7-13-9-15(3-4-18-13)8-12-6-10-1-2-11(12)5-10/h10-13H,1-9H2,(H,16,17).
What are the key properties of 2-[4-(2-bicyclo[2.2.1]heptanylmethyl)morpholin-2-yl]acetic acid?
2-[4-(2-bicyclo[2.2.1]heptanylmethyl)morpholin-2-yl]acetic acid has a molecular weight of 253.34 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bicyclo[2.2.1]heptanylmethyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 79558606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).