4-[(2S)-2-amino-3-methylbutanoyl]morpholine-2-carbonitrile

C10H17N3O2 — CID 79681377

IUPAC4-[(2S)-2-amino-3-methylbutanoyl]morpholine-2-carbonitrile
SMILESCC(C)[C@H](N)C(=O)N1CCOC(C#N)C1
InChIInChI=1S/C10H17N3O2/c1-7(2)9(12)10(14)13-3-4-15-8(5-11)6-13/h7-9H,3-4,6,12H2,1-2H3/t8?,9-/m0/s1
InChIKeyMIVWNJJDIKUISB-GKAPJAKFSA-N
MW211.26 g/mol
LogP-0.28
Rot. Bonds2

About 4-[(2S)-2-amino-3-methylbutanoyl]morpholine-2-carbonitrile

4-[(2S)-2-amino-3-methylbutanoyl]morpholine-2-carbonitrile (PubChem CID 79681377) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-[(2S)-2-amino-3-methylbutanoyl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-[(2S)-2-amino-3-methylbutanoyl]morpholine-2-carbonitrile
PubChem CID79681377
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name4-[(2S)-2-amino-3-methylbutanoyl]morpholine-2-carbonitrile
SMILESCC(C)[C@H](N)C(=O)N1CCOC(C#N)C1
InChIInChI=1S/C10H17N3O2/c1-7(2)9(12)10(14)13-3-4-15-8(5-11)6-13/h7-9H,3-4,6,12H2,1-2H3/t8?,9-/m0/s1
InChIKeyMIVWNJJDIKUISB-GKAPJAKFSA-N
XLogP-0.28
TPSA79.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-cyanopropanoyl)morpholine-2-carbonitrile
CID 78996355
(2R)-2-amino-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one
CID 79011523
(2S)-2-amino-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one
CID 61148534
2-cyano-N-propan-2-ylmorpholine-4-carboxamide
CID 78946088
propan-2-yl 2-cyanomorpholine-4-carboxylate
CID 79674867
4-[(2S)-2-amino-2-phenylacetyl]morpholine-2-carbonitrile
CID 104898120
1-[(2R)-2-amino-3-methylbutanoyl]pyrrolidine-3-carbonitrile
CID 164650433
4-(3-amino-2,2,3-trimethylbutanoyl)morpholine-2-carbonitrile
CID 79674055
(2R)-2-amino-3-methyl-1-(3-methylpyrrolidin-1-yl)butan-1-one
CID 79013338
5-(2-cyanomorpholin-4-yl)-3-methyl-5-oxopentanoic acid
CID 79674093
2-amino-3-methyl-1-morpholin-4-ylbutan-1-one
CID 22492154
4-(2-methylcyclopropanecarbonyl)morpholine-2-carbonitrile
CID 78945771

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-amino-3-methylbutanoyl]morpholine-2-carbonitrile?
The IUPAC name of 4-[(2S)-2-amino-3-methylbutanoyl]morpholine-2-carbonitrile (CID 79681377) is 4-[(2S)-2-amino-3-methylbutanoyl]morpholine-2-carbonitrile.
What is the SMILES notation for 4-[(2S)-2-amino-3-methylbutanoyl]morpholine-2-carbonitrile?
The canonical SMILES for 4-[(2S)-2-amino-3-methylbutanoyl]morpholine-2-carbonitrile is CC(C)[C@H](N)C(=O)N1CCOC(C#N)C1.
What is the InChIKey of 4-[(2S)-2-amino-3-methylbutanoyl]morpholine-2-carbonitrile?
The InChIKey is MIVWNJJDIKUISB-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7(2)9(12)10(14)13-3-4-15-8(5-11)6-13/h7-9H,3-4,6,12H2,1-2H3/t8?,9-/m0/s1.
What are the key properties of 4-[(2S)-2-amino-3-methylbutanoyl]morpholine-2-carbonitrile?
4-[(2S)-2-amino-3-methylbutanoyl]morpholine-2-carbonitrile has a molecular weight of 211.26 g/mol, XLogP of -0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-amino-3-methylbutanoyl]morpholine-2-carbonitrile is sourced from PubChem (CID 79681377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).