methyl N-[[(2R)-4-prop-2-ynylmorpholin-2-yl]methyl]carbamate

C10H16N2O3 — CID 176596348

IUPACmethyl N-[[(2R)-4-prop-2-ynylmorpholin-2-yl]methyl]carbamate
SMILESC#CCN1CCO[C@H](CNC(=O)OC)C1
InChIInChI=1S/C10H16N2O3/c1-3-4-12-5-6-15-9(8-12)7-11-10(13)14-2/h1,9H,4-8H2,2H3,(H,11,13)/t9-/m1/s1
InChIKeyZCIUKBGHPQXXJL-SECBINFHSA-N
MW212.25 g/mol
LogP-0.32
Rot. Bonds3

About methyl N-[[(2R)-4-prop-2-ynylmorpholin-2-yl]methyl]carbamate

methyl N-[[(2R)-4-prop-2-ynylmorpholin-2-yl]methyl]carbamate (PubChem CID 176596348) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is methyl N-[[(2R)-4-prop-2-ynylmorpholin-2-yl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[(2R)-4-prop-2-ynylmorpholin-2-yl]methyl]carbamate
PubChem CID176596348
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Namemethyl N-[[(2R)-4-prop-2-ynylmorpholin-2-yl]methyl]carbamate
SMILESC#CCN1CCO[C@H](CNC(=O)OC)C1
InChIInChI=1S/C10H16N2O3/c1-3-4-12-5-6-15-9(8-12)7-11-10(13)14-2/h1,9H,4-8H2,2H3,(H,11,13)/t9-/m1/s1
InChIKeyZCIUKBGHPQXXJL-SECBINFHSA-N
XLogP-0.32
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-ethylmorpholin-2-yl)methyl]-2-methoxyacetamide
CID 115629823
(4-prop-2-ynylmorpholin-2-yl)methanol
CID 79833462
cyclopentyl N-[(4-ethylmorpholin-2-yl)methyl]carbamate
CID 112738868
(2S)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholine-4-carboxylic acid
CID 68684608
tert-butyl N-[[(2S)-4-[(3,4-dimethylphenyl)methyl]morpholin-2-yl]methyl]carbamate
CID 143491953
N,N-dimethyl-2-[(2S)-4-prop-2-ynylmorpholin-2-yl]ethanamine
CID 138728331
methyl N-[2-[2-(hydroxymethyl)morpholin-4-yl]acetyl]carbamate
CID 79833806
methyl 2-(4-pent-4-ynylmorpholin-2-yl)acetate
CID 112548455
tert-butyl N-[[(2R)-4-propan-2-ylmorpholin-2-yl]methyl]carbamate
CID 163975726
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropanecarboxamide
CID 95168375
tert-butyl N-[[(2S)-4-[(3-chloro-4-methylphenyl)methyl]morpholin-2-yl]methyl]carbamate;ethane
CID 143612680
tert-butyl N-[3-[(4-ethylmorpholin-2-yl)methylamino]propyl]carbamate
CID 114399643

Frequently Asked Questions

What is the IUPAC name of methyl N-[[(2R)-4-prop-2-ynylmorpholin-2-yl]methyl]carbamate?
The IUPAC name of methyl N-[[(2R)-4-prop-2-ynylmorpholin-2-yl]methyl]carbamate (CID 176596348) is methyl N-[[(2R)-4-prop-2-ynylmorpholin-2-yl]methyl]carbamate.
What is the SMILES notation for methyl N-[[(2R)-4-prop-2-ynylmorpholin-2-yl]methyl]carbamate?
The canonical SMILES for methyl N-[[(2R)-4-prop-2-ynylmorpholin-2-yl]methyl]carbamate is C#CCN1CCO[C@H](CNC(=O)OC)C1.
What is the InChIKey of methyl N-[[(2R)-4-prop-2-ynylmorpholin-2-yl]methyl]carbamate?
The InChIKey is ZCIUKBGHPQXXJL-SECBINFHSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-3-4-12-5-6-15-9(8-12)7-11-10(13)14-2/h1,9H,4-8H2,2H3,(H,11,13)/t9-/m1/s1.
What are the key properties of methyl N-[[(2R)-4-prop-2-ynylmorpholin-2-yl]methyl]carbamate?
methyl N-[[(2R)-4-prop-2-ynylmorpholin-2-yl]methyl]carbamate has a molecular weight of 212.25 g/mol, XLogP of -0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[(2R)-4-prop-2-ynylmorpholin-2-yl]methyl]carbamate is sourced from PubChem (CID 176596348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).