3-(4-ethylmorpholin-2-yl)-2-(phenylmethoxycarbonylamino)propanoic acid

C17H24N2O5 — CID 103717728

IUPAC3-(4-ethylmorpholin-2-yl)-2-(phenylmethoxycarbonylamino)propanoic acid
SMILESCCN1CCOC(CC(NC(=O)OCc2ccccc2)C(=O)O)C1
InChIInChI=1S/C17H24N2O5/c1-2-19-8-9-23-14(11-19)10-15(16(20)21)18-17(22)24-12-13-6-4-3-5-7-13/h3-7,14-15H,2,8-12H2,1H3,(H,18,22)(H,20,21)
InChIKeyQRVNODBNBDIMJE-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.48
Rot. Bonds7

About 3-(4-ethylmorpholin-2-yl)-2-(phenylmethoxycarbonylamino)propanoic acid

3-(4-ethylmorpholin-2-yl)-2-(phenylmethoxycarbonylamino)propanoic acid (PubChem CID 103717728) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-(4-ethylmorpholin-2-yl)-2-(phenylmethoxycarbonylamino)propanoic acid.

Molecular Properties

Compound Name3-(4-ethylmorpholin-2-yl)-2-(phenylmethoxycarbonylamino)propanoic acid
PubChem CID103717728
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Name3-(4-ethylmorpholin-2-yl)-2-(phenylmethoxycarbonylamino)propanoic acid
SMILESCCN1CCOC(CC(NC(=O)OCc2ccccc2)C(=O)O)C1
InChIInChI=1S/C17H24N2O5/c1-2-19-8-9-23-14(11-19)10-15(16(20)21)18-17(22)24-12-13-6-4-3-5-7-13/h3-7,14-15H,2,8-12H2,1H3,(H,18,22)(H,20,21)
InChIKeyQRVNODBNBDIMJE-UHFFFAOYSA-N
XLogP1.48
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[3-[(4-ethylmorpholin-2-yl)methylamino]cyclobutyl]carbamate
CID 103393813
(2S)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoic acid
CID 54104350
3-(5,5-dimethyloxolan-2-yl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 104889539
(2S)-3-(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 18641965
(2S)-3-cyclobutyl-2-(phenylmethoxycarbonylamino)propanoic acid
CID 129372179
tert-butyl (2S)-4-morpholin-4-yl-2-(phenylmethoxycarbonylamino)butanoate
CID 10595823
cis-(1R,2S)-2-[2-carboxy-2-(phenylmethoxycarbonylamino)ethyl]cyclopropane-1-carboxylic acid
CID 54279840
(2S)-4-ethoxy-2-(phenylmethoxycarbonylamino)butanoic acid
CID 129369915
(2S)-3-(3,3-difluorocyclobutyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 129353954
benzyl (2R)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoate
CID 139650807
(2S)-4-(methylamino)-2-(phenylmethoxycarbonylamino)butanoic acid
CID 143421754
4-(methylamino)-2-(phenylmethoxycarbonylamino)butanoic acid
CID 66926655

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylmorpholin-2-yl)-2-(phenylmethoxycarbonylamino)propanoic acid?
The IUPAC name of 3-(4-ethylmorpholin-2-yl)-2-(phenylmethoxycarbonylamino)propanoic acid (CID 103717728) is 3-(4-ethylmorpholin-2-yl)-2-(phenylmethoxycarbonylamino)propanoic acid.
What is the SMILES notation for 3-(4-ethylmorpholin-2-yl)-2-(phenylmethoxycarbonylamino)propanoic acid?
The canonical SMILES for 3-(4-ethylmorpholin-2-yl)-2-(phenylmethoxycarbonylamino)propanoic acid is CCN1CCOC(CC(NC(=O)OCc2ccccc2)C(=O)O)C1.
What is the InChIKey of 3-(4-ethylmorpholin-2-yl)-2-(phenylmethoxycarbonylamino)propanoic acid?
The InChIKey is QRVNODBNBDIMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-2-19-8-9-23-14(11-19)10-15(16(20)21)18-17(22)24-12-13-6-4-3-5-7-13/h3-7,14-15H,2,8-12H2,1H3,(H,18,22)(H,20,21).
What are the key properties of 3-(4-ethylmorpholin-2-yl)-2-(phenylmethoxycarbonylamino)propanoic acid?
3-(4-ethylmorpholin-2-yl)-2-(phenylmethoxycarbonylamino)propanoic acid has a molecular weight of 336.39 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylmorpholin-2-yl)-2-(phenylmethoxycarbonylamino)propanoic acid is sourced from PubChem (CID 103717728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).