2-[(3S)-4-(3-pyridin-3-ylpropanoyl)morpholin-3-yl]acetic acid

C14H18N2O4 — CID 99625562

IUPAC2-[(3S)-4-(3-pyridin-3-ylpropanoyl)morpholin-3-yl]acetic acid
SMILESO=C(O)C[C@H]1COCCN1C(=O)CCc1cccnc1
InChIInChI=1S/C14H18N2O4/c17-13(4-3-11-2-1-5-15-9-11)16-6-7-20-10-12(16)8-14(18)19/h1-2,5,9,12H,3-4,6-8,10H2,(H,18,19)/t12-/m0/s1
InChIKeyQOFCGUJRAFLMND-LBPRGKRZSA-N
MW278.31 g/mol
LogP0.72
Rot. Bonds5

About 2-[(3S)-4-(3-pyridin-3-ylpropanoyl)morpholin-3-yl]acetic acid

2-[(3S)-4-(3-pyridin-3-ylpropanoyl)morpholin-3-yl]acetic acid (PubChem CID 99625562) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[(3S)-4-(3-pyridin-3-ylpropanoyl)morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3S)-4-(3-pyridin-3-ylpropanoyl)morpholin-3-yl]acetic acid
PubChem CID99625562
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[(3S)-4-(3-pyridin-3-ylpropanoyl)morpholin-3-yl]acetic acid
SMILESO=C(O)C[C@H]1COCCN1C(=O)CCc1cccnc1
InChIInChI=1S/C14H18N2O4/c17-13(4-3-11-2-1-5-15-9-11)16-6-7-20-10-12(16)8-14(18)19/h1-2,5,9,12H,3-4,6-8,10H2,(H,18,19)/t12-/m0/s1
InChIKeyQOFCGUJRAFLMND-LBPRGKRZSA-N
XLogP0.72
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-4-(2-pyridin-3-ylacetyl)morpholin-3-yl]acetic acid
CID 99622343
1-[3-(methylaminomethyl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 115270965
2-[1-(3-pyridin-3-ylpropanoyl)piperidin-2-yl]acetic acid
CID 61009259
3-phenyl-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one
CID 124940868
2-[(3S)-4-(4-pyridin-3-yloxybenzoyl)morpholin-3-yl]acetic acid
CID 129469711
2-[(3S)-4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]morpholin-3-yl]acetic acid
CID 95882575
1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 75473692
2-[(3S)-4-(pyridine-4-carbonyl)morpholin-3-yl]acetic acid
CID 124572359
2-[4-[2-(2-phenylmethoxyphenyl)acetyl]morpholin-3-yl]acetic acid
CID 56915525
2-[(3R)-4-(3,3-diphenylpropanoyl)morpholin-3-yl]acetic acid
CID 129469743
1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid
CID 43356028
2-[(3R)-4-[2-(1-benzylpiperidin-4-yl)acetyl]morpholin-3-yl]acetic acid
CID 124751060

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-4-(3-pyridin-3-ylpropanoyl)morpholin-3-yl]acetic acid?
The IUPAC name of 2-[(3S)-4-(3-pyridin-3-ylpropanoyl)morpholin-3-yl]acetic acid (CID 99625562) is 2-[(3S)-4-(3-pyridin-3-ylpropanoyl)morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[(3S)-4-(3-pyridin-3-ylpropanoyl)morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[(3S)-4-(3-pyridin-3-ylpropanoyl)morpholin-3-yl]acetic acid is O=C(O)C[C@H]1COCCN1C(=O)CCc1cccnc1.
What is the InChIKey of 2-[(3S)-4-(3-pyridin-3-ylpropanoyl)morpholin-3-yl]acetic acid?
The InChIKey is QOFCGUJRAFLMND-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N2O4/c17-13(4-3-11-2-1-5-15-9-11)16-6-7-20-10-12(16)8-14(18)19/h1-2,5,9,12H,3-4,6-8,10H2,(H,18,19)/t12-/m0/s1.
What are the key properties of 2-[(3S)-4-(3-pyridin-3-ylpropanoyl)morpholin-3-yl]acetic acid?
2-[(3S)-4-(3-pyridin-3-ylpropanoyl)morpholin-3-yl]acetic acid has a molecular weight of 278.31 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-4-(3-pyridin-3-ylpropanoyl)morpholin-3-yl]acetic acid is sourced from PubChem (CID 99625562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).