(2S)-2-methyl-N-propan-2-ylmorpholine-4-carboxamide

C9H18N2O2 — CID 167135155

IUPAC(2S)-2-methyl-N-propan-2-ylmorpholine-4-carboxamide
SMILESCC(C)NC(=O)N1CCO[C@@H](C)C1
InChIInChI=1S/C9H18N2O2/c1-7(2)10-9(12)11-4-5-13-8(3)6-11/h7-8H,4-6H2,1-3H3,(H,10,12)/t8-/m0/s1
InChIKeyWVAJMVHJNRZSNB-QMMMGPOBSA-N
MW186.25 g/mol
LogP0.83
Rot. Bonds1

About (2S)-2-methyl-N-propan-2-ylmorpholine-4-carboxamide

(2S)-2-methyl-N-propan-2-ylmorpholine-4-carboxamide (PubChem CID 167135155) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2S)-2-methyl-N-propan-2-ylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-propan-2-ylmorpholine-4-carboxamide
PubChem CID167135155
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(2S)-2-methyl-N-propan-2-ylmorpholine-4-carboxamide
SMILESCC(C)NC(=O)N1CCO[C@@H](C)C1
InChIInChI=1S/C9H18N2O2/c1-7(2)10-9(12)11-4-5-13-8(3)6-11/h7-8H,4-6H2,1-3H3,(H,10,12)/t8-/m0/s1
InChIKeyWVAJMVHJNRZSNB-QMMMGPOBSA-N
XLogP0.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-[(2-methylmorpholine-4-carbonyl)amino]acetic acid
CID 62695647
2-cyano-N-propan-2-ylmorpholine-4-carboxamide
CID 78946088
2-(aminomethyl)-N-propan-2-ylmorpholine-4-carboxamide
CID 61337402
N-cyclopropyl-2-methylmorpholine-4-carboxamide
CID 110310077
4-methyl-2-[(2-methyl-1,4-oxazepane-4-carbonyl)amino]pentanoic acid
CID 62967106
2-chloro-1-(2-methylmorpholin-4-yl)propan-1-one
CID 24698951
N-propan-2-ylmorpholine-4-carboxamide
CID 3411412
2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide
CID 120661109
(2R)-2-methyl-N-[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]morpholine-4-carboxamide
CID 96566193
2-methyl-1,4-oxazepane-4-carbohydrazide
CID 62968526
3-[(2-methylmorpholine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66030812
(2S)-2-methylmorpholine-4-carbonyl chloride
CID 151798222

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-propan-2-ylmorpholine-4-carboxamide?
The IUPAC name of (2S)-2-methyl-N-propan-2-ylmorpholine-4-carboxamide (CID 167135155) is (2S)-2-methyl-N-propan-2-ylmorpholine-4-carboxamide.
What is the SMILES notation for (2S)-2-methyl-N-propan-2-ylmorpholine-4-carboxamide?
The canonical SMILES for (2S)-2-methyl-N-propan-2-ylmorpholine-4-carboxamide is CC(C)NC(=O)N1CCO[C@@H](C)C1.
What is the InChIKey of (2S)-2-methyl-N-propan-2-ylmorpholine-4-carboxamide?
The InChIKey is WVAJMVHJNRZSNB-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7(2)10-9(12)11-4-5-13-8(3)6-11/h7-8H,4-6H2,1-3H3,(H,10,12)/t8-/m0/s1.
What are the key properties of (2S)-2-methyl-N-propan-2-ylmorpholine-4-carboxamide?
(2S)-2-methyl-N-propan-2-ylmorpholine-4-carboxamide has a molecular weight of 186.25 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-propan-2-ylmorpholine-4-carboxamide is sourced from PubChem (CID 167135155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).