ethyl 2-[[4-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]benzoyl]amino]propanoate

C18H25N3O5 — CID 120935486

IUPACethyl 2-[[4-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]benzoyl]amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1ccc(NC(=O)[C@H]2NCCO[C@@H]2C)cc1
InChIInChI=1S/C18H25N3O5/c1-4-25-18(24)11(2)20-16(22)13-5-7-14(8-6-13)21-17(23)15-12(3)26-10-9-19-15/h5-8,11-12,15,19H,4,9-10H2,1-3H3,(H,20,22)(H,21,23)/t11?,12-,15+/m1/s1
InChIKeyULAHFKDNILBQJA-ZCADOIRISA-N
MW363.41 g/mol
LogP0.68
Rot. Bonds6

About ethyl 2-[[4-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]benzoyl]amino]propanoate

ethyl 2-[[4-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]benzoyl]amino]propanoate (PubChem CID 120935486) has the molecular formula C18H25N3O5 and a molecular weight of 363.41 g/mol. Its IUPAC name is ethyl 2-[[4-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]benzoyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[4-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]benzoyl]amino]propanoate
PubChem CID120935486
Molecular FormulaC18H25N3O5
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Nameethyl 2-[[4-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]benzoyl]amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1ccc(NC(=O)[C@H]2NCCO[C@@H]2C)cc1
InChIInChI=1S/C18H25N3O5/c1-4-25-18(24)11(2)20-16(22)13-5-7-14(8-6-13)21-17(23)15-12(3)26-10-9-19-15/h5-8,11-12,15,19H,4,9-10H2,1-3H3,(H,20,22)(H,21,23)/t11?,12-,15+/m1/s1
InChIKeyULAHFKDNILBQJA-ZCADOIRISA-N
XLogP0.68
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[4-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]benzoyl]amino]propanoate with MolForge

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Related Compounds

(2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoyl)phenyl]morpholine-3-carboxamide
CID 120926510
(2R,3S)-N-(4-butan-2-yloxyphenyl)-2-methylmorpholine-3-carboxamide
CID 120926448
ethyl 2-[[4-(piperidine-2-carbonylamino)benzoyl]amino]propanoate;hydrochloride
CID 119336769
(2R,3S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120920522
(2R,3S)-N-(4-acetamidophenyl)-2-methylmorpholine-3-carboxamide
CID 120916743
(2R,3S)-2-methyl-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]morpholine-3-carboxamide
CID 120931980
(2R,3S)-N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2-methylmorpholine-3-carboxamide
CID 120923570
(2R,3S)-N-[4-(difluoromethoxy)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917827
ethyl 2-[[4-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]benzoyl]amino]propanoate
CID 119806763
(2R,3S)-N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-methylmorpholine-3-carboxamide
CID 120924044
(2R,3S)-N-[4-(3-amino-3-oxopropoxy)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120925642
(2R,3S)-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)morpholine-3-carboxamide;hydrochloride
CID 120934935

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]benzoyl]amino]propanoate?
The IUPAC name of ethyl 2-[[4-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]benzoyl]amino]propanoate (CID 120935486) is ethyl 2-[[4-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]benzoyl]amino]propanoate.
What is the SMILES notation for ethyl 2-[[4-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]benzoyl]amino]propanoate?
The canonical SMILES for ethyl 2-[[4-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]benzoyl]amino]propanoate is CCOC(=O)C(C)NC(=O)c1ccc(NC(=O)[C@H]2NCCO[C@@H]2C)cc1.
What is the InChIKey of ethyl 2-[[4-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]benzoyl]amino]propanoate?
The InChIKey is ULAHFKDNILBQJA-ZCADOIRISA-N. The full InChI is InChI=1S/C18H25N3O5/c1-4-25-18(24)11(2)20-16(22)13-5-7-14(8-6-13)21-17(23)15-12(3)26-10-9-19-15/h5-8,11-12,15,19H,4,9-10H2,1-3H3,(H,20,22)(H,21,23)/t11?,12-,15+/m1/s1.
What are the key properties of ethyl 2-[[4-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]benzoyl]amino]propanoate?
ethyl 2-[[4-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]benzoyl]amino]propanoate has a molecular weight of 363.41 g/mol, XLogP of 0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]benzoyl]amino]propanoate is sourced from PubChem (CID 120935486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).