2-[4-(1-pyridin-3-ylethylcarbamoyl)morpholin-2-yl]acetic acid

C14H19N3O4 — CID 66434836

IUPAC2-[4-(1-pyridin-3-ylethylcarbamoyl)morpholin-2-yl]acetic acid
SMILESCC(NC(=O)N1CCOC(CC(=O)O)C1)c1cccnc1
InChIInChI=1S/C14H19N3O4/c1-10(11-3-2-4-15-8-11)16-14(20)17-5-6-21-12(9-17)7-13(18)19/h2-4,8,10,12H,5-7,9H2,1H3,(H,16,20)(H,18,19)
InChIKeyYSHATJMWQIUKER-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.03
Rot. Bonds4

About 2-[4-(1-pyridin-3-ylethylcarbamoyl)morpholin-2-yl]acetic acid

2-[4-(1-pyridin-3-ylethylcarbamoyl)morpholin-2-yl]acetic acid (PubChem CID 66434836) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[4-(1-pyridin-3-ylethylcarbamoyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(1-pyridin-3-ylethylcarbamoyl)morpholin-2-yl]acetic acid
PubChem CID66434836
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-[4-(1-pyridin-3-ylethylcarbamoyl)morpholin-2-yl]acetic acid
SMILESCC(NC(=O)N1CCOC(CC(=O)O)C1)c1cccnc1
InChIInChI=1S/C14H19N3O4/c1-10(11-3-2-4-15-8-11)16-14(20)17-5-6-21-12(9-17)7-13(18)19/h2-4,8,10,12H,5-7,9H2,1H3,(H,16,20)(H,18,19)
InChIKeyYSHATJMWQIUKER-UHFFFAOYSA-N
XLogP1.03
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-pyridin-3-ylethyl)morpholine-4-carboxamide
CID 115576612
2-[4-[methyl(pyridin-3-yl)carbamoyl]morpholin-2-yl]acetic acid
CID 66435865
2-[4-(1-thiophen-2-ylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66436008
2-[4-[(4-methyl-3-pyridinyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66435665
2-[4-(1-cyclopropylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435617
2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-2-yl]acetic acid
CID 104829302
2-[4-[(E)-3-pyridin-3-ylprop-2-enoyl]morpholin-2-yl]acetic acid
CID 66420956
2-[4-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]morpholin-2-yl]acetic acid
CID 120527570
methyl 2-[4-(pyridine-3-carbonyl)morpholin-2-yl]acetate
CID 79806240
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-[2-[3-(pyridin-3-ylmethoxy)phenyl]acetyl]morpholin-2-yl]acetic acid
CID 120527790

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-pyridin-3-ylethylcarbamoyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(1-pyridin-3-ylethylcarbamoyl)morpholin-2-yl]acetic acid (CID 66434836) is 2-[4-(1-pyridin-3-ylethylcarbamoyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(1-pyridin-3-ylethylcarbamoyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(1-pyridin-3-ylethylcarbamoyl)morpholin-2-yl]acetic acid is CC(NC(=O)N1CCOC(CC(=O)O)C1)c1cccnc1.
What is the InChIKey of 2-[4-(1-pyridin-3-ylethylcarbamoyl)morpholin-2-yl]acetic acid?
The InChIKey is YSHATJMWQIUKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-10(11-3-2-4-15-8-11)16-14(20)17-5-6-21-12(9-17)7-13(18)19/h2-4,8,10,12H,5-7,9H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[4-(1-pyridin-3-ylethylcarbamoyl)morpholin-2-yl]acetic acid?
2-[4-(1-pyridin-3-ylethylcarbamoyl)morpholin-2-yl]acetic acid has a molecular weight of 293.32 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-pyridin-3-ylethylcarbamoyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66434836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).