[(2S)-2-morpholin-4-ylpropyl] 4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoate

C19H26N2O4 — CID 100724027

IUPAC[(2S)-2-morpholin-4-ylpropyl] 4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoate
SMILESC[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)OC[C@H](C)N2CCOCC2)cc1
InChIInChI=1S/C19H26N2O4/c1-13-11-17(13)18(22)20-16-5-3-15(4-6-16)19(23)25-12-14(2)21-7-9-24-10-8-21/h3-6,13-14,17H,7-12H2,1-2H3,(H,20,22)/t13-,14-,17+/m0/s1
InChIKeyUJFUEEAWDBDCEP-GRDNDAEWSA-N
MW346.43 g/mol
LogP2.16
Rot. Bonds6

About [(2S)-2-morpholin-4-ylpropyl] 4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoate

[(2S)-2-morpholin-4-ylpropyl] 4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoate (PubChem CID 100724027) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is [(2S)-2-morpholin-4-ylpropyl] 4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoate.

Molecular Properties

Compound Name[(2S)-2-morpholin-4-ylpropyl] 4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoate
PubChem CID100724027
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name[(2S)-2-morpholin-4-ylpropyl] 4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoate
SMILESC[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)OC[C@H](C)N2CCOCC2)cc1
InChIInChI=1S/C19H26N2O4/c1-13-11-17(13)18(22)20-16-5-3-15(4-6-16)19(23)25-12-14(2)21-7-9-24-10-8-21/h3-6,13-14,17H,7-12H2,1-2H3,(H,20,22)/t13-,14-,17+/m0/s1
InChIKeyUJFUEEAWDBDCEP-GRDNDAEWSA-N
XLogP2.16
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2S)-2-morpholin-4-ylpropyl] 4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoate with MolForge

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Related Compounds

(2-methylcyclopropyl)methyl 4-[(2-methylcyclopropanecarbonyl)amino]benzoate
CID 47980702
(3-methyloxetan-3-yl)methyl 4-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzoate
CID 94796411
methyl 4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate
CID 7741315
ethyl 4-[[2-(morpholine-4-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 109133425
N-[4-(1-aminoethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 16794453
ethyl 4-[(2-morpholin-4-yl-2-oxoacetyl)amino]benzoate
CID 2250451
(2S,3S)-3-methyl-2-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]pentanoic acid
CID 119194021
[(2S)-2-morpholin-4-ylpropyl] 3-(3-oxomorpholin-4-yl)benzoate
CID 167909828
2-morpholin-4-ylpropyl 2-methylpropanoate
CID 131966450
N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride
CID 119436705
N-[4-(1-hydroxyethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 43508348
3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzamide
CID 98727874

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-morpholin-4-ylpropyl] 4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoate?
The IUPAC name of [(2S)-2-morpholin-4-ylpropyl] 4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoate (CID 100724027) is [(2S)-2-morpholin-4-ylpropyl] 4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoate.
What is the SMILES notation for [(2S)-2-morpholin-4-ylpropyl] 4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoate?
The canonical SMILES for [(2S)-2-morpholin-4-ylpropyl] 4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoate is C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)OC[C@H](C)N2CCOCC2)cc1.
What is the InChIKey of [(2S)-2-morpholin-4-ylpropyl] 4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoate?
The InChIKey is UJFUEEAWDBDCEP-GRDNDAEWSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-13-11-17(13)18(22)20-16-5-3-15(4-6-16)19(23)25-12-14(2)21-7-9-24-10-8-21/h3-6,13-14,17H,7-12H2,1-2H3,(H,20,22)/t13-,14-,17+/m0/s1.
What are the key properties of [(2S)-2-morpholin-4-ylpropyl] 4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoate?
[(2S)-2-morpholin-4-ylpropyl] 4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoate has a molecular weight of 346.43 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-morpholin-4-ylpropyl] 4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoate is sourced from PubChem (CID 100724027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).