(2S)-2-amino-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]butan-1-one

C12H20N4O2 — CID 119881008

IUPAC(2S)-2-amino-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]butan-1-one
SMILESCC[C@H](N)C(=O)N1CCOC(Cn2cccn2)C1
InChIInChI=1S/C12H20N4O2/c1-2-11(13)12(17)15-6-7-18-10(8-15)9-16-5-3-4-14-16/h3-5,10-11H,2,6-9,13H2,1H3/t10?,11-/m0/s1
InChIKeyMDELUDUAVGMIOB-DTIOYNMSSA-N
MW252.32 g/mol
LogP-0.15
Rot. Bonds4

About (2S)-2-amino-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]butan-1-one

(2S)-2-amino-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]butan-1-one (PubChem CID 119881008) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is (2S)-2-amino-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]butan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]butan-1-one
PubChem CID119881008
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name(2S)-2-amino-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]butan-1-one
SMILESCC[C@H](N)C(=O)N1CCOC(Cn2cccn2)C1
InChIInChI=1S/C12H20N4O2/c1-2-11(13)12(17)15-6-7-18-10(8-15)9-16-5-3-4-14-16/h3-5,10-11H,2,6-9,13H2,1H3/t10?,11-/m0/s1
InChIKeyMDELUDUAVGMIOB-DTIOYNMSSA-N
XLogP-0.15
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-1-one
CID 119880996
(2S)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]butan-1-one
CID 81203282
(3-aminophenyl)-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methanone;dihydrochloride
CID 119881009
[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-pyrrolidin-2-ylmethanone;dihydrochloride
CID 119881013
[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-pyrrolidin-3-ylmethanone;dihydrochloride
CID 119881027
morpholin-2-yl-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methanone;dihydrochloride
CID 119881019
4-[[[2-(pyrazol-1-ylmethyl)morpholine-4-carbonyl]amino]methyl]benzoic acid
CID 122021186
3-piperidin-3-yl-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]butan-1-one
CID 119880994
(2R)-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(pyrazol-1-ylmethyl)morpholine-4-carboxamide
CID 129379201
N-(2-acetamidoethyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 95321575
(2S)-2-amino-1-(2-ethylmorpholin-4-yl)hexan-1-one
CID 103831207
[(2R)-2-(pyrazol-1-ylmethyl)-1,4-oxazepan-4-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone
CID 97134757

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]butan-1-one?
The IUPAC name of (2S)-2-amino-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]butan-1-one (CID 119881008) is (2S)-2-amino-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]butan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]butan-1-one?
The canonical SMILES for (2S)-2-amino-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]butan-1-one is CC[C@H](N)C(=O)N1CCOC(Cn2cccn2)C1.
What is the InChIKey of (2S)-2-amino-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]butan-1-one?
The InChIKey is MDELUDUAVGMIOB-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-2-11(13)12(17)15-6-7-18-10(8-15)9-16-5-3-4-14-16/h3-5,10-11H,2,6-9,13H2,1H3/t10?,11-/m0/s1.
What are the key properties of (2S)-2-amino-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]butan-1-one?
(2S)-2-amino-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]butan-1-one has a molecular weight of 252.32 g/mol, XLogP of -0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]butan-1-one is sourced from PubChem (CID 119881008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).