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

C15H24N2O4 — CID 66433923

IUPAC2-[4-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)NCC2CC3CCC2C3)CCO1
InChIInChI=1S/C15H24N2O4/c18-14(19)7-13-9-17(3-4-21-13)15(20)16-8-12-6-10-1-2-11(12)5-10/h10-13H,1-9H2,(H,16,20)(H,18,19)
InChIKeyASZPBXXMMLZABO-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.31
Rot. Bonds4

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

2-[4-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)morpholin-2-yl]acetic acid (PubChem CID 66433923) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[4-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)morpholin-2-yl]acetic acid
PubChem CID66433923
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-[4-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)NCC2CC3CCC2C3)CCO1
InChIInChI=1S/C15H24N2O4/c18-14(19)7-13-9-17(3-4-21-13)15(20)16-8-12-6-10-1-2-11(12)5-10/h10-13H,1-9H2,(H,16,20)(H,18,19)
InChIKeyASZPBXXMMLZABO-UHFFFAOYSA-N
XLogP1.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-bicyclo[2.2.1]heptanylmethyl)morpholin-2-yl]acetic acid
CID 79558606
2-[4-(thiolan-3-ylmethylcarbamoyl)morpholin-2-yl]acetic acid
CID 107297434
2-[4-(3-methylbutylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435211
2-[4-(2-pyrrolidin-1-ylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66436055
2-[4-[(2-methylcyclopropyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66435660
2-[4-[(1,1-dioxothian-4-yl)carbamoyl]morpholin-2-yl]acetic acid
CID 66433295
2-[4-(2-sulfamoylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66434839
2-[4-[3-(dimethylamino)propylcarbamoyl]morpholin-2-yl]acetic acid
CID 66435216
2-[4-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]morpholin-2-yl]acetic acid
CID 66435659
2-[4-[[2-oxo-2-(propylamino)ethyl]carbamoyl]morpholin-2-yl]acetic acid
CID 66433095
2-[4-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]morpholin-2-yl]acetic acid
CID 66434515
2-[4-(1-cyclopropylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435617

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)morpholin-2-yl]acetic acid (CID 66433923) is 2-[4-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)NCC2CC3CCC2C3)CCO1.
What is the InChIKey of 2-[4-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)morpholin-2-yl]acetic acid?
The InChIKey is ASZPBXXMMLZABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c18-14(19)7-13-9-17(3-4-21-13)15(20)16-8-12-6-10-1-2-11(12)5-10/h10-13H,1-9H2,(H,16,20)(H,18,19).
What are the key properties of 2-[4-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)morpholin-2-yl]acetic acid?
2-[4-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)morpholin-2-yl]acetic acid has a molecular weight of 296.37 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66433923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).