2-[(3S)-4-(pyridine-4-carbonyl)morpholin-3-yl]acetic acid

C12H14N2O4 — CID 124572359

IUPAC2-[(3S)-4-(pyridine-4-carbonyl)morpholin-3-yl]acetic acid
SMILESO=C(O)C[C@H]1COCCN1C(=O)c1ccncc1
InChIInChI=1S/C12H14N2O4/c15-11(16)7-10-8-18-6-5-14(10)12(17)9-1-3-13-4-2-9/h1-4,10H,5-8H2,(H,15,16)/t10-/m0/s1
InChIKeyDGHQZBTYJTXJFN-JTQLQIEISA-N
MW250.25 g/mol
LogP0.40
Rot. Bonds3

About 2-[(3S)-4-(pyridine-4-carbonyl)morpholin-3-yl]acetic acid

2-[(3S)-4-(pyridine-4-carbonyl)morpholin-3-yl]acetic acid (PubChem CID 124572359) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-[(3S)-4-(pyridine-4-carbonyl)morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3S)-4-(pyridine-4-carbonyl)morpholin-3-yl]acetic acid
PubChem CID124572359
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name2-[(3S)-4-(pyridine-4-carbonyl)morpholin-3-yl]acetic acid
SMILESO=C(O)C[C@H]1COCCN1C(=O)c1ccncc1
InChIInChI=1S/C12H14N2O4/c15-11(16)7-10-8-18-6-5-14(10)12(17)9-1-3-13-4-2-9/h1-4,10H,5-8H2,(H,15,16)/t10-/m0/s1
InChIKeyDGHQZBTYJTXJFN-JTQLQIEISA-N
XLogP0.40
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-4-[1-(pyridine-4-carbonyl)piperidine-4-carbonyl]morpholin-3-yl]acetic acid
CID 95728578
2-[(3R)-4-[4-(1,2,4-triazol-4-yl)benzoyl]morpholin-3-yl]acetic acid
CID 95711799
2-[(3S)-4-(4-pyridin-3-yloxybenzoyl)morpholin-3-yl]acetic acid
CID 129469711
[3-(methylaminomethyl)morpholin-4-yl]-pyridin-4-ylmethanone
CID 115270933
(3S)-4-(pyridine-4-carbonyl)morpholine-3-carboxylic acid
CID 124513224
2-[4-(3,5-dibromobenzoyl)morpholin-3-yl]acetic acid
CID 107971589
2-[(3S)-4-(3-chloro-4-methylbenzoyl)morpholin-3-yl]acetic acid
CID 124572821
2-[(3R)-4-[4-(phenoxymethyl)benzoyl]morpholin-3-yl]acetic acid
CID 129469768
2-[4-(1-propan-2-ylpyrazole-4-carbonyl)morpholin-3-yl]acetic acid
CID 56909134
2-[(3S)-4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]morpholin-3-yl]acetic acid
CID 95882575
[(3R)-3-(hydroxymethyl)morpholin-4-yl]-phenylmethanone;hydrochloride
CID 118953500
2-[4-(2,5-dihydroxybenzoyl)morpholin-3-yl]acetic acid
CID 107721744

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-4-(pyridine-4-carbonyl)morpholin-3-yl]acetic acid?
The IUPAC name of 2-[(3S)-4-(pyridine-4-carbonyl)morpholin-3-yl]acetic acid (CID 124572359) is 2-[(3S)-4-(pyridine-4-carbonyl)morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[(3S)-4-(pyridine-4-carbonyl)morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[(3S)-4-(pyridine-4-carbonyl)morpholin-3-yl]acetic acid is O=C(O)C[C@H]1COCCN1C(=O)c1ccncc1.
What is the InChIKey of 2-[(3S)-4-(pyridine-4-carbonyl)morpholin-3-yl]acetic acid?
The InChIKey is DGHQZBTYJTXJFN-JTQLQIEISA-N. The full InChI is InChI=1S/C12H14N2O4/c15-11(16)7-10-8-18-6-5-14(10)12(17)9-1-3-13-4-2-9/h1-4,10H,5-8H2,(H,15,16)/t10-/m0/s1.
What are the key properties of 2-[(3S)-4-(pyridine-4-carbonyl)morpholin-3-yl]acetic acid?
2-[(3S)-4-(pyridine-4-carbonyl)morpholin-3-yl]acetic acid has a molecular weight of 250.25 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-4-(pyridine-4-carbonyl)morpholin-3-yl]acetic acid is sourced from PubChem (CID 124572359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).