benzyl (3R)-3-(aminomethyl)morpholine-4-carboxylate

C13H18N2O3 — CID 91666877

IUPACbenzyl (3R)-3-(aminomethyl)morpholine-4-carboxylate
SMILESNC[C@@H]1COCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C13H18N2O3/c14-8-12-10-17-7-6-15(12)13(16)18-9-11-4-2-1-3-5-11/h1-5,12H,6-10,14H2/t12-/m1/s1
InChIKeyPHVGNIVBGOBZCV-GFCCVEGCSA-N
MW250.30 g/mol
LogP0.98
Rot. Bonds3

About benzyl (3R)-3-(aminomethyl)morpholine-4-carboxylate

benzyl (3R)-3-(aminomethyl)morpholine-4-carboxylate (PubChem CID 91666877) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is benzyl (3R)-3-(aminomethyl)morpholine-4-carboxylate.

Molecular Properties

Compound Namebenzyl (3R)-3-(aminomethyl)morpholine-4-carboxylate
PubChem CID91666877
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Namebenzyl (3R)-3-(aminomethyl)morpholine-4-carboxylate
SMILESNC[C@@H]1COCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C13H18N2O3/c14-8-12-10-17-7-6-15(12)13(16)18-9-11-4-2-1-3-5-11/h1-5,12H,6-10,14H2/t12-/m1/s1
InChIKeyPHVGNIVBGOBZCV-GFCCVEGCSA-N
XLogP0.98
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (3S)-3-prop-2-ynylmorpholine-4-carboxylate
CID 87302423
benzyl (3S)-3-[(2-bromophenoxy)methyl]morpholine-4-carboxylate
CID 151728416
benzyl (3R)-3-ethynylmorpholine-4-carboxylate
CID 88963201
ethyl 3-benzylmorpholine-4-carboxylate
CID 110749949
benzyl 3-(2-bromoacetyl)morpholine-4-carboxylate
CID 104701369
(4S)-3-phenylmethoxycarbonyl-1,3-oxazolidine-4-carboxylic acid
CID 688328
benzyl (6R,7R)-6,7-dihydroxy-1,4-oxazocane-4-carboxylate
CID 122547436
tert-butyl (3S)-3-(phenylmethoxymethyl)morpholine-4-carboxylate
CID 20648537
benzyl (2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 101038867
5-(3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl)pentanoic acid
CID 57109367
benzyl 2-(aminomethyl)-4-sulfanylpyrrolidine-1-carboxylate
CID 150434246
3-[(1R)-1-amino-2-oxo-2-phenylmethoxyethyl]morpholine-4-carboxylic acid
CID 68733888

Frequently Asked Questions

What is the IUPAC name of benzyl (3R)-3-(aminomethyl)morpholine-4-carboxylate?
The IUPAC name of benzyl (3R)-3-(aminomethyl)morpholine-4-carboxylate (CID 91666877) is benzyl (3R)-3-(aminomethyl)morpholine-4-carboxylate.
What is the SMILES notation for benzyl (3R)-3-(aminomethyl)morpholine-4-carboxylate?
The canonical SMILES for benzyl (3R)-3-(aminomethyl)morpholine-4-carboxylate is NC[C@@H]1COCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (3R)-3-(aminomethyl)morpholine-4-carboxylate?
The InChIKey is PHVGNIVBGOBZCV-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18N2O3/c14-8-12-10-17-7-6-15(12)13(16)18-9-11-4-2-1-3-5-11/h1-5,12H,6-10,14H2/t12-/m1/s1.
What are the key properties of benzyl (3R)-3-(aminomethyl)morpholine-4-carboxylate?
benzyl (3R)-3-(aminomethyl)morpholine-4-carboxylate has a molecular weight of 250.30 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3R)-3-(aminomethyl)morpholine-4-carboxylate is sourced from PubChem (CID 91666877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).