2-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]propan-2-ylamino]propanoic acid

C15H28N2O5 — CID 104855281

IUPAC2-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]propan-2-ylamino]propanoic acid
SMILESCC(CC1COCCN1C(=O)OC(C)(C)C)NC(C)C(=O)O
InChIInChI=1S/C15H28N2O5/c1-10(16-11(2)13(18)19)8-12-9-21-7-6-17(12)14(20)22-15(3,4)5/h10-12,16H,6-9H2,1-5H3,(H,18,19)
InChIKeyASXUWHODOXPYAS-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.46
Rot. Bonds5

About 2-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]propan-2-ylamino]propanoic acid

2-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]propan-2-ylamino]propanoic acid (PubChem CID 104855281) has the molecular formula C15H28N2O5 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]propan-2-ylamino]propanoic acid.

Molecular Properties

Compound Name2-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]propan-2-ylamino]propanoic acid
PubChem CID104855281
Molecular FormulaC15H28N2O5
Molecular Weight316.40 g/mol
Exact Mass316.20
IUPAC Name2-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]propan-2-ylamino]propanoic acid
SMILESCC(CC1COCCN1C(=O)OC(C)(C)C)NC(C)C(=O)O
InChIInChI=1S/C15H28N2O5/c1-10(16-11(2)13(18)19)8-12-9-21-7-6-17(12)14(20)22-15(3,4)5/h10-12,16H,6-9H2,1-5H3,(H,18,19)
InChIKeyASXUWHODOXPYAS-UHFFFAOYSA-N
XLogP1.46
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]propan-2-ylamino]propanoic acid with MolForge

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Related Compounds

tert-butyl 3-[2-(1-hydroxypentan-3-ylamino)propyl]morpholine-4-carboxylate
CID 104864436
tert-butyl 3-[2-(hexan-3-ylamino)propyl]morpholine-4-carboxylate
CID 104855288
tert-butyl 3-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]propyl]morpholine-4-carboxylate
CID 104855368
tert-butyl 3-[2-[(3-hydroxy-2-methylpropyl)amino]propyl]morpholine-4-carboxylate
CID 104855309
tert-butyl 3-[2-[(2-hydroxy-2-methylpropyl)amino]propyl]morpholine-4-carboxylate
CID 104855310
tert-butyl 3-[2-[(4-hydroxy-2,2-dimethylbutyl)amino]propyl]morpholine-4-carboxylate
CID 113479100
tert-butyl 3-[2-[(1-methylcyclopropyl)methylamino]propyl]morpholine-4-carboxylate
CID 104871875
tert-butyl 3-[2-[(3-methyloxetan-3-yl)methylamino]propyl]morpholine-4-carboxylate
CID 104855325
tert-butyl 3-[2-(2-carbamoyloxyethylamino)propyl]morpholine-4-carboxylate
CID 104855381
tert-butyl 3-[2-[3-(dimethylamino)propylamino]propyl]morpholine-4-carboxylate
CID 104855230
tert-butyl 3-[2-[(3-methylcyclopentyl)amino]propyl]morpholine-4-carboxylate
CID 104937556
tert-butyl 3-[2-(1-thiophen-3-ylpropan-2-ylamino)propyl]morpholine-4-carboxylate
CID 113461919

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]propan-2-ylamino]propanoic acid?
The IUPAC name of 2-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]propan-2-ylamino]propanoic acid (CID 104855281) is 2-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]propan-2-ylamino]propanoic acid.
What is the SMILES notation for 2-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]propan-2-ylamino]propanoic acid?
The canonical SMILES for 2-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]propan-2-ylamino]propanoic acid is CC(CC1COCCN1C(=O)OC(C)(C)C)NC(C)C(=O)O.
What is the InChIKey of 2-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]propan-2-ylamino]propanoic acid?
The InChIKey is ASXUWHODOXPYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O5/c1-10(16-11(2)13(18)19)8-12-9-21-7-6-17(12)14(20)22-15(3,4)5/h10-12,16H,6-9H2,1-5H3,(H,18,19).
What are the key properties of 2-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]propan-2-ylamino]propanoic acid?
2-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]propan-2-ylamino]propanoic acid has a molecular weight of 316.40 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]propan-2-ylamino]propanoic acid is sourced from PubChem (CID 104855281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).