N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide

C13H22N4O3 — CID 11098017

IUPACN-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide
SMILESCC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)NCC#N
InChIInChI=1S/C13H22N4O3/c1-10(2)9-11(12(18)15-4-3-14)16-13(19)17-5-7-20-8-6-17/h10-11H,4-9H2,1-2H3,(H,15,18)(H,16,19)/t11-/m0/s1
InChIKeyOEGABHQAWDXQMV-NSHDSACASA-N
MW282.34 g/mol
LogP0.08
Rot. Bonds5

About N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide

N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide (PubChem CID 11098017) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide
PubChem CID11098017
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC NameN-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide
SMILESCC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)NCC#N
InChIInChI=1S/C13H22N4O3/c1-10(2)9-11(12(18)15-4-3-14)16-13(19)17-5-7-20-8-6-17/h10-11H,4-9H2,1-2H3,(H,15,18)(H,16,19)/t11-/m0/s1
InChIKeyOEGABHQAWDXQMV-NSHDSACASA-N
XLogP0.08
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

LM11A-31
CID 18604758
Morpholine-4-carboxylic acid {1-[(cyano-methyl-methyl)-carbamoyl]-3-methyl-butyl}-amide
CID 10990120
Morpholine-4-carboxylic acid {1-[(cyano-dimethyl-methyl)-carbamoyl]-3-methyl-butyl}-amide
CID 11120472
Morpholine-4-carboxylic acid [1-(1-cyano-butylcarbamoyl)-3-methyl-butyl]-amide
CID 11823521
Morpholine-4-carboxylic acid [1-(1-cyano-pentylcarbamoyl)-3-methyl-butyl]-amide
CID 11823960
2-amino-3-methyl-N-[2-(morpholin-4-yl)ethyl]pentanamide
CID 11959372
Morpholine-4-carboxylic acid {1-[(cyano-dimethyl-methyl)-carbamoyl]-2-cyclohexyl-ethyl}-amide
CID 10893503
N-[(2S)-1-[[4-(ethylamino)-4-oxobutyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide
CID 44330977
N-[(2S)-1-[[(1S)-1-cyano-2-methylpropyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide
CID 11809509
Morpholine-4-carboxylic acid [1-(1-ethylaminooxalyl-propylcarbamoyl)-3-methyl-butyl]-amide
CID 44353509
(2S)-2-[[(2S)-2-[acetyl(3-ethoxypropyl)amino]-4-methylpentanoyl]amino]-4-methyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 45273241
N-[(2S)-1-[[(1S)-1-cyano-2,2-dimethylpropyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide
CID 10860703

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide (CID 11098017) is N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide is CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)NCC#N.
What is the InChIKey of N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide?
The InChIKey is OEGABHQAWDXQMV-NSHDSACASA-N. The full InChI is InChI=1S/C13H22N4O3/c1-10(2)9-11(12(18)15-4-3-14)16-13(19)17-5-7-20-8-6-17/h10-11H,4-9H2,1-2H3,(H,15,18)(H,16,19)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide?
N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 11098017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).