2-[4-[3-(naphthalene-2-carbonylamino)propanoyl]morpholin-2-yl]acetic acid

C20H22N2O5 — CID 119247581

IUPAC2-[4-[3-(naphthalene-2-carbonylamino)propanoyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)CCNC(=O)c2ccc3ccccc3c2)CCO1
InChIInChI=1S/C20H22N2O5/c23-18(22-9-10-27-17(13-22)12-19(24)25)7-8-21-20(26)16-6-5-14-3-1-2-4-15(14)11-16/h1-6,11,17H,7-10,12-13H2,(H,21,26)(H,24,25)
InChIKeyUPMDBVKTIVSYPZ-UHFFFAOYSA-N
MW370.40 g/mol
LogP1.66
Rot. Bonds6

About 2-[4-[3-(naphthalene-2-carbonylamino)propanoyl]morpholin-2-yl]acetic acid

2-[4-[3-(naphthalene-2-carbonylamino)propanoyl]morpholin-2-yl]acetic acid (PubChem CID 119247581) has the molecular formula C20H22N2O5 and a molecular weight of 370.40 g/mol. Its IUPAC name is 2-[4-[3-(naphthalene-2-carbonylamino)propanoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-(naphthalene-2-carbonylamino)propanoyl]morpholin-2-yl]acetic acid
PubChem CID119247581
Molecular FormulaC20H22N2O5
Molecular Weight370.40 g/mol
Exact Mass370.15
IUPAC Name2-[4-[3-(naphthalene-2-carbonylamino)propanoyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)CCNC(=O)c2ccc3ccccc3c2)CCO1
InChIInChI=1S/C20H22N2O5/c23-18(22-9-10-27-17(13-22)12-19(24)25)7-8-21-20(26)16-6-5-14-3-1-2-4-15(14)11-16/h1-6,11,17H,7-10,12-13H2,(H,21,26)(H,24,25)
InChIKeyUPMDBVKTIVSYPZ-UHFFFAOYSA-N
XLogP1.66
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid
CID 66422337
N-[4-oxo-4-[(2S)-2-propylmorpholin-4-yl]butyl]benzamide
CID 97064108
2-[4-[5-(4-methoxyphenyl)-5-oxopentanoyl]morpholin-2-yl]acetic acid
CID 120687850
2-[(2R)-4-[3-(1-benzofuran-2-yl)propanoyl]morpholin-2-yl]acetic acid
CID 125150468
N-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 31414440
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]naphthalene-2-carboxamide
CID 31882746
2-[4-(2-phenoxyacetyl)morpholin-2-yl]acetic acid
CID 66421533
2-[4-(2-benzo[e][1]benzofuran-2-ylacetyl)morpholin-2-yl]acetic acid
CID 120527712
N-[4-(2-methylmorpholin-4-yl)-4-oxobutyl]benzamide
CID 51296252
N-[3-[4-(3-methylbutyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide
CID 55847751
N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride
CID 119546157
1-[2-(hydroxymethyl)morpholin-4-yl]-2-naphthalen-2-ylethanone
CID 81196890

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(naphthalene-2-carbonylamino)propanoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[3-(naphthalene-2-carbonylamino)propanoyl]morpholin-2-yl]acetic acid (CID 119247581) is 2-[4-[3-(naphthalene-2-carbonylamino)propanoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[3-(naphthalene-2-carbonylamino)propanoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[3-(naphthalene-2-carbonylamino)propanoyl]morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)CCNC(=O)c2ccc3ccccc3c2)CCO1.
What is the InChIKey of 2-[4-[3-(naphthalene-2-carbonylamino)propanoyl]morpholin-2-yl]acetic acid?
The InChIKey is UPMDBVKTIVSYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c23-18(22-9-10-27-17(13-22)12-19(24)25)7-8-21-20(26)16-6-5-14-3-1-2-4-15(14)11-16/h1-6,11,17H,7-10,12-13H2,(H,21,26)(H,24,25).
What are the key properties of 2-[4-[3-(naphthalene-2-carbonylamino)propanoyl]morpholin-2-yl]acetic acid?
2-[4-[3-(naphthalene-2-carbonylamino)propanoyl]morpholin-2-yl]acetic acid has a molecular weight of 370.40 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(naphthalene-2-carbonylamino)propanoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 119247581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).