tert-butyl 3-[2-(1-hydroxypentan-3-ylamino)propyl]morpholine-4-carboxylate

C17H34N2O4 — CID 104864436

IUPACtert-butyl 3-[2-(1-hydroxypentan-3-ylamino)propyl]morpholine-4-carboxylate
SMILESCCC(CCO)NC(C)CC1COCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H34N2O4/c1-6-14(7-9-20)18-13(2)11-15-12-22-10-8-19(15)16(21)23-17(3,4)5/h13-15,18,20H,6-12H2,1-5H3
InChIKeyYOWCVWNTVGNLHP-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.15
Rot. Bonds7

About tert-butyl 3-[2-(1-hydroxypentan-3-ylamino)propyl]morpholine-4-carboxylate

tert-butyl 3-[2-(1-hydroxypentan-3-ylamino)propyl]morpholine-4-carboxylate (PubChem CID 104864436) has the molecular formula C17H34N2O4 and a molecular weight of 330.47 g/mol. Its IUPAC name is tert-butyl 3-[2-(1-hydroxypentan-3-ylamino)propyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-(1-hydroxypentan-3-ylamino)propyl]morpholine-4-carboxylate
PubChem CID104864436
Molecular FormulaC17H34N2O4
Molecular Weight330.47 g/mol
Exact Mass330.25
IUPAC Nametert-butyl 3-[2-(1-hydroxypentan-3-ylamino)propyl]morpholine-4-carboxylate
SMILESCCC(CCO)NC(C)CC1COCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H34N2O4/c1-6-14(7-9-20)18-13(2)11-15-12-22-10-8-19(15)16(21)23-17(3,4)5/h13-15,18,20H,6-12H2,1-5H3
InChIKeyYOWCVWNTVGNLHP-UHFFFAOYSA-N
XLogP2.15
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-[2-(hexan-3-ylamino)propyl]morpholine-4-carboxylate
CID 104855288
2-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]propan-2-ylamino]propanoic acid
CID 104855281
tert-butyl 3-[2-[(4-hydroxy-2,2-dimethylbutyl)amino]propyl]morpholine-4-carboxylate
CID 113479100
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-[3-(dimethylamino)propylamino]propyl]morpholine-4-carboxylate
CID 104855230
tert-butyl 3-[2-[(1-methylcyclopropyl)methylamino]propyl]morpholine-4-carboxylate
CID 104871875
tert-butyl (3S)-3-ethylmorpholine-4-carboxylate
CID 135215862
tert-butyl 3-[2-(2-carbamoyloxyethylamino)propyl]morpholine-4-carboxylate
CID 104855381
tert-butyl 3-[2-[(3-methyloxetan-3-yl)methylamino]propyl]morpholine-4-carboxylate
CID 104855325
tert-butyl 3-[2-[(3-methylcyclopentyl)amino]propyl]morpholine-4-carboxylate
CID 104937556

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-(1-hydroxypentan-3-ylamino)propyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-[2-(1-hydroxypentan-3-ylamino)propyl]morpholine-4-carboxylate (CID 104864436) is tert-butyl 3-[2-(1-hydroxypentan-3-ylamino)propyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-(1-hydroxypentan-3-ylamino)propyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-[2-(1-hydroxypentan-3-ylamino)propyl]morpholine-4-carboxylate is CCC(CCO)NC(C)CC1COCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-[2-(1-hydroxypentan-3-ylamino)propyl]morpholine-4-carboxylate?
The InChIKey is YOWCVWNTVGNLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O4/c1-6-14(7-9-20)18-13(2)11-15-12-22-10-8-19(15)16(21)23-17(3,4)5/h13-15,18,20H,6-12H2,1-5H3.
What are the key properties of tert-butyl 3-[2-(1-hydroxypentan-3-ylamino)propyl]morpholine-4-carboxylate?
tert-butyl 3-[2-(1-hydroxypentan-3-ylamino)propyl]morpholine-4-carboxylate has a molecular weight of 330.47 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-(1-hydroxypentan-3-ylamino)propyl]morpholine-4-carboxylate is sourced from PubChem (CID 104864436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).