3-[3-[(3-morpholin-4-yl-2-pyridinyl)carbamoylamino]phenyl]propanoic acid

C19H22N4O4 — CID 122093056

IUPAC3-[3-[(3-morpholin-4-yl-2-pyridinyl)carbamoylamino]phenyl]propanoic acid
SMILESO=C(O)CCc1cccc(NC(=O)Nc2ncccc2N2CCOCC2)c1
InChIInChI=1S/C19H22N4O4/c24-17(25)7-6-14-3-1-4-15(13-14)21-19(26)22-18-16(5-2-8-20-18)23-9-11-27-12-10-23/h1-5,8,13H,6-7,9-12H2,(H,24,25)(H2,20,21,22,26)
InChIKeyXWCNSNCOSQVDAR-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.58
Rot. Bonds6

About 3-[3-[(3-morpholin-4-yl-2-pyridinyl)carbamoylamino]phenyl]propanoic acid

3-[3-[(3-morpholin-4-yl-2-pyridinyl)carbamoylamino]phenyl]propanoic acid (PubChem CID 122093056) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 3-[3-[(3-morpholin-4-yl-2-pyridinyl)carbamoylamino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-[(3-morpholin-4-yl-2-pyridinyl)carbamoylamino]phenyl]propanoic acid
PubChem CID122093056
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name3-[3-[(3-morpholin-4-yl-2-pyridinyl)carbamoylamino]phenyl]propanoic acid
SMILESO=C(O)CCc1cccc(NC(=O)Nc2ncccc2N2CCOCC2)c1
InChIInChI=1S/C19H22N4O4/c24-17(25)7-6-14-3-1-4-15(13-14)21-19(26)22-18-16(5-2-8-20-18)23-9-11-27-12-10-23/h1-5,8,13H,6-7,9-12H2,(H,24,25)(H2,20,21,22,26)
InChIKeyXWCNSNCOSQVDAR-UHFFFAOYSA-N
XLogP2.58
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[(2-methyl-1,2,4-triazol-3-yl)carbamoylamino]phenyl]propanoic acid
CID 115341020
3-[3-[[2-(1-morpholin-4-ylcyclopentyl)acetyl]amino]phenyl]propanoic acid
CID 120613884
3-[3-[[2-(2,6-dimethylmorpholin-4-yl)phenyl]carbamoylamino]phenyl]propanoic acid
CID 122076921
3-[3-[(1-methyl-2,3-dihydroindol-6-yl)carbamoylamino]phenyl]propanoic acid
CID 122088927
3-[3-[[4-(oxolan-3-yl)phenyl]carbamoylamino]phenyl]propanoic acid
CID 122094327
1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 47033840
3-[3-(azepane-1-carbonylamino)phenyl]propanoic acid
CID 115339440
3-[3-[(2,4,6-trimethyl-3-pyridinyl)carbamoylamino]phenyl]propanoic acid
CID 122093877
3-[3-(tert-butylcarbamoylamino)phenyl]propanoic acid
CID 115339448
3-[3-[[2-(carboxymethylsulfanyl)acetyl]amino]phenyl]propanoic acid
CID 120613796
3-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]propanoic acid
CID 115339339
3-[3-[[1-(2-methoxyacetyl)-2,3-dihydroindol-4-yl]carbamoylamino]phenyl]propanoic acid
CID 122089802

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3-morpholin-4-yl-2-pyridinyl)carbamoylamino]phenyl]propanoic acid?
The IUPAC name of 3-[3-[(3-morpholin-4-yl-2-pyridinyl)carbamoylamino]phenyl]propanoic acid (CID 122093056) is 3-[3-[(3-morpholin-4-yl-2-pyridinyl)carbamoylamino]phenyl]propanoic acid.
What is the SMILES notation for 3-[3-[(3-morpholin-4-yl-2-pyridinyl)carbamoylamino]phenyl]propanoic acid?
The canonical SMILES for 3-[3-[(3-morpholin-4-yl-2-pyridinyl)carbamoylamino]phenyl]propanoic acid is O=C(O)CCc1cccc(NC(=O)Nc2ncccc2N2CCOCC2)c1.
What is the InChIKey of 3-[3-[(3-morpholin-4-yl-2-pyridinyl)carbamoylamino]phenyl]propanoic acid?
The InChIKey is XWCNSNCOSQVDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c24-17(25)7-6-14-3-1-4-15(13-14)21-19(26)22-18-16(5-2-8-20-18)23-9-11-27-12-10-23/h1-5,8,13H,6-7,9-12H2,(H,24,25)(H2,20,21,22,26).
What are the key properties of 3-[3-[(3-morpholin-4-yl-2-pyridinyl)carbamoylamino]phenyl]propanoic acid?
3-[3-[(3-morpholin-4-yl-2-pyridinyl)carbamoylamino]phenyl]propanoic acid has a molecular weight of 370.41 g/mol, XLogP of 2.58, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3-morpholin-4-yl-2-pyridinyl)carbamoylamino]phenyl]propanoic acid is sourced from PubChem (CID 122093056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).