2-[4-(1-cyclopropylethylcarbamoyl)morpholin-2-yl]acetic acid

C12H20N2O4 — CID 66435617

IUPAC2-[4-(1-cyclopropylethylcarbamoyl)morpholin-2-yl]acetic acid
SMILESCC(NC(=O)N1CCOC(CC(=O)O)C1)C1CC1
InChIInChI=1S/C12H20N2O4/c1-8(9-2-3-9)13-12(17)14-4-5-18-10(7-14)6-11(15)16/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyYEBAQQJJRRIYOG-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.67
Rot. Bonds4

About 2-[4-(1-cyclopropylethylcarbamoyl)morpholin-2-yl]acetic acid

2-[4-(1-cyclopropylethylcarbamoyl)morpholin-2-yl]acetic acid (PubChem CID 66435617) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[4-(1-cyclopropylethylcarbamoyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(1-cyclopropylethylcarbamoyl)morpholin-2-yl]acetic acid
PubChem CID66435617
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-[4-(1-cyclopropylethylcarbamoyl)morpholin-2-yl]acetic acid
SMILESCC(NC(=O)N1CCOC(CC(=O)O)C1)C1CC1
InChIInChI=1S/C12H20N2O4/c1-8(9-2-3-9)13-12(17)14-4-5-18-10(7-14)6-11(15)16/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyYEBAQQJJRRIYOG-UHFFFAOYSA-N
XLogP0.67
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-N-(1-cyclopropylethyl)morpholine-4-carboxamide
CID 75445413
2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-2-yl]acetic acid
CID 104829302
2-[4-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]morpholin-2-yl]acetic acid
CID 66433511
2-[4-(3-methylbutylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435211
2-[4-(pent-1-yn-3-ylcarbamoyl)morpholin-2-yl]acetic acid
CID 106232126
2-[1-(1-cyclopropylethylcarbamoyl)azetidin-3-yl]acetic acid
CID 64616011
2-[4-[(2-methylcyclopropyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66435660
2-[1-(1-cyclopropylethylcarbamoyl)piperidin-3-yl]acetic acid
CID 62691352
2-[4-(3,3-dicyclopropylpropanoyl)morpholin-2-yl]acetic acid
CID 119248213
2-[4-(1-thiophen-2-ylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66436008
2-[4-[(2S)-2-aminopropanoyl]morpholin-2-yl]acetic acid
CID 66433437
2-[4-(1-pyridin-3-ylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66434836

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-cyclopropylethylcarbamoyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(1-cyclopropylethylcarbamoyl)morpholin-2-yl]acetic acid (CID 66435617) is 2-[4-(1-cyclopropylethylcarbamoyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(1-cyclopropylethylcarbamoyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(1-cyclopropylethylcarbamoyl)morpholin-2-yl]acetic acid is CC(NC(=O)N1CCOC(CC(=O)O)C1)C1CC1.
What is the InChIKey of 2-[4-(1-cyclopropylethylcarbamoyl)morpholin-2-yl]acetic acid?
The InChIKey is YEBAQQJJRRIYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-8(9-2-3-9)13-12(17)14-4-5-18-10(7-14)6-11(15)16/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 2-[4-(1-cyclopropylethylcarbamoyl)morpholin-2-yl]acetic acid?
2-[4-(1-cyclopropylethylcarbamoyl)morpholin-2-yl]acetic acid has a molecular weight of 256.30 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-cyclopropylethylcarbamoyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66435617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).