tert-butyl (3S)-3-(aminomethyl)morpholine-4-carboxylate;hydrochloride

C10H21ClN2O3 — CID 84819306

IUPACtert-butyl (3S)-3-(aminomethyl)morpholine-4-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCOC[C@@H]1CN.Cl
InChIInChI=1S/C10H20N2O3.ClH/c1-10(2,3)15-9(13)12-4-5-14-7-8(12)6-11;/h8H,4-7,11H2,1-3H3;1H/t8-;/m0./s1
InChIKeyYDSFWBOOABKQEE-QRPNPIFTSA-N
MW252.74 g/mol
LogP1.00
Rot. Bonds1

About tert-butyl (3S)-3-(aminomethyl)morpholine-4-carboxylate;hydrochloride

tert-butyl (3S)-3-(aminomethyl)morpholine-4-carboxylate;hydrochloride (PubChem CID 84819306) has the molecular formula C10H21ClN2O3 and a molecular weight of 252.74 g/mol. Its IUPAC name is tert-butyl (3S)-3-(aminomethyl)morpholine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Nametert-butyl (3S)-3-(aminomethyl)morpholine-4-carboxylate;hydrochloride
PubChem CID84819306
Molecular FormulaC10H21ClN2O3
Molecular Weight252.74 g/mol
Exact Mass252.12
IUPAC Nametert-butyl (3S)-3-(aminomethyl)morpholine-4-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCOC[C@@H]1CN.Cl
InChIInChI=1S/C10H20N2O3.ClH/c1-10(2,3)15-9(13)12-4-5-14-7-8(12)6-11;/h8H,4-7,11H2,1-3H3;1H/t8-;/m0./s1
InChIKeyYDSFWBOOABKQEE-QRPNPIFTSA-N
XLogP1.00
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3S)-3-ethylmorpholine-4-carboxylate
CID 135215862
3-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]propanoic acid
CID 53425042
tert-butyl 3-[2-(chloromethoxy)-2-oxoethyl]morpholine-4-carboxylate
CID 165438860
tert-butyl (3S)-3-(1-fluoroethoxymethyl)morpholine-4-carboxylate
CID 134168093
2-amino-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]pentanoic acid
CID 174175731
tert-butyl 3-[2-[(2-hydroxy-2-methylpropyl)amino]propyl]morpholine-4-carboxylate
CID 104855310
(2S)-2-amino-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]pentanoic acid
CID 170738312
2-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]propan-2-ylamino]propanoic acid
CID 104855281
tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate
CID 2756484
tert-butyl 3-[(dicyclopropylmethylamino)methyl]morpholine-4-carboxylate
CID 107249604
tert-butyl 3-[2-(4-methylphenyl)-2-oxoethyl]morpholine-4-carboxylate
CID 104855099
tert-butyl 3-[2-(2-carbamoyloxyethylamino)propyl]morpholine-4-carboxylate
CID 104855381

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-(aminomethyl)morpholine-4-carboxylate;hydrochloride?
The IUPAC name of tert-butyl (3S)-3-(aminomethyl)morpholine-4-carboxylate;hydrochloride (CID 84819306) is tert-butyl (3S)-3-(aminomethyl)morpholine-4-carboxylate;hydrochloride.
What is the SMILES notation for tert-butyl (3S)-3-(aminomethyl)morpholine-4-carboxylate;hydrochloride?
The canonical SMILES for tert-butyl (3S)-3-(aminomethyl)morpholine-4-carboxylate;hydrochloride is CC(C)(C)OC(=O)N1CCOC[C@@H]1CN.Cl.
What is the InChIKey of tert-butyl (3S)-3-(aminomethyl)morpholine-4-carboxylate;hydrochloride?
The InChIKey is YDSFWBOOABKQEE-QRPNPIFTSA-N. The full InChI is InChI=1S/C10H20N2O3.ClH/c1-10(2,3)15-9(13)12-4-5-14-7-8(12)6-11;/h8H,4-7,11H2,1-3H3;1H/t8-;/m0./s1.
What are the key properties of tert-butyl (3S)-3-(aminomethyl)morpholine-4-carboxylate;hydrochloride?
tert-butyl (3S)-3-(aminomethyl)morpholine-4-carboxylate;hydrochloride has a molecular weight of 252.74 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-(aminomethyl)morpholine-4-carboxylate;hydrochloride is sourced from PubChem (CID 84819306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).