2-[4-[3-(cyclopropanecarbonylamino)benzoyl]morpholin-2-yl]acetic acid

C17H20N2O5 — CID 119247768

IUPAC2-[4-[3-(cyclopropanecarbonylamino)benzoyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)c2cccc(NC(=O)C3CC3)c2)CCO1
InChIInChI=1S/C17H20N2O5/c20-15(21)9-14-10-19(6-7-24-14)17(23)12-2-1-3-13(8-12)18-16(22)11-4-5-11/h1-3,8,11,14H,4-7,9-10H2,(H,18,22)(H,20,21)
InChIKeyRAOLVUDQXGEJFF-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.35
Rot. Bonds5

About 2-[4-[3-(cyclopropanecarbonylamino)benzoyl]morpholin-2-yl]acetic acid

2-[4-[3-(cyclopropanecarbonylamino)benzoyl]morpholin-2-yl]acetic acid (PubChem CID 119247768) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-[4-[3-(cyclopropanecarbonylamino)benzoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-(cyclopropanecarbonylamino)benzoyl]morpholin-2-yl]acetic acid
PubChem CID119247768
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name2-[4-[3-(cyclopropanecarbonylamino)benzoyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)c2cccc(NC(=O)C3CC3)c2)CCO1
InChIInChI=1S/C17H20N2O5/c20-15(21)9-14-10-19(6-7-24-14)17(23)12-2-1-3-13(8-12)18-16(22)11-4-5-11/h1-3,8,11,14H,4-7,9-10H2,(H,18,22)(H,20,21)
InChIKeyRAOLVUDQXGEJFF-UHFFFAOYSA-N
XLogP1.35
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3-methylpiperidine-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 51149495
2-[(2S)-4-[3-(furan-3-yl)benzoyl]morpholin-2-yl]acetic acid
CID 129401275
2-[4-(3-ethoxybenzoyl)morpholin-2-yl]acetic acid
CID 119248791
2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid
CID 66433602
2-[(2R)-4-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]morpholin-2-yl]acetic acid
CID 125120159
2-[(2R)-4-(3-pyrazol-1-ylbenzoyl)morpholin-2-yl]acetic acid
CID 124705020
N-[3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]cyclopropanecarboxamide
CID 119637482
N-[3-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119283240
3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]benzoic acid
CID 81204204
2-[(2R)-4-[3-(2-oxopyrrolidin-1-yl)benzoyl]morpholin-2-yl]acetic acid
CID 125119172
2-[4-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]morpholin-2-yl]acetic acid
CID 126793733
2-[4-(3-fluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66421551

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(cyclopropanecarbonylamino)benzoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[3-(cyclopropanecarbonylamino)benzoyl]morpholin-2-yl]acetic acid (CID 119247768) is 2-[4-[3-(cyclopropanecarbonylamino)benzoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[3-(cyclopropanecarbonylamino)benzoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[3-(cyclopropanecarbonylamino)benzoyl]morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)c2cccc(NC(=O)C3CC3)c2)CCO1.
What is the InChIKey of 2-[4-[3-(cyclopropanecarbonylamino)benzoyl]morpholin-2-yl]acetic acid?
The InChIKey is RAOLVUDQXGEJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c20-15(21)9-14-10-19(6-7-24-14)17(23)12-2-1-3-13(8-12)18-16(22)11-4-5-11/h1-3,8,11,14H,4-7,9-10H2,(H,18,22)(H,20,21).
What are the key properties of 2-[4-[3-(cyclopropanecarbonylamino)benzoyl]morpholin-2-yl]acetic acid?
2-[4-[3-(cyclopropanecarbonylamino)benzoyl]morpholin-2-yl]acetic acid has a molecular weight of 332.36 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(cyclopropanecarbonylamino)benzoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 119247768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).