4-(2,3-diamino-3-oxopropyl)-N-propan-2-ylmorpholine-3-carboxamide

C11H22N4O3 — CID 83103304

IUPAC4-(2,3-diamino-3-oxopropyl)-N-propan-2-ylmorpholine-3-carboxamide
SMILESCC(C)NC(=O)C1COCCN1CC(N)C(N)=O
InChIInChI=1S/C11H22N4O3/c1-7(2)14-11(17)9-6-18-4-3-15(9)5-8(12)10(13)16/h7-9H,3-6,12H2,1-2H3,(H2,13,16)(H,14,17)
InChIKeyXKWSHTSVWHSTPR-UHFFFAOYSA-N
MW258.32 g/mol
LogP-1.98
Rot. Bonds5

About 4-(2,3-diamino-3-oxopropyl)-N-propan-2-ylmorpholine-3-carboxamide

4-(2,3-diamino-3-oxopropyl)-N-propan-2-ylmorpholine-3-carboxamide (PubChem CID 83103304) has the molecular formula C11H22N4O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-(2,3-diamino-3-oxopropyl)-N-propan-2-ylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(2,3-diamino-3-oxopropyl)-N-propan-2-ylmorpholine-3-carboxamide
PubChem CID83103304
Molecular FormulaC11H22N4O3
Molecular Weight258.32 g/mol
Exact Mass258.17
IUPAC Name4-(2,3-diamino-3-oxopropyl)-N-propan-2-ylmorpholine-3-carboxamide
SMILESCC(C)NC(=O)C1COCCN1CC(N)C(N)=O
InChIInChI=1S/C11H22N4O3/c1-7(2)14-11(17)9-6-18-4-3-15(9)5-8(12)10(13)16/h7-9H,3-6,12H2,1-2H3,(H2,13,16)(H,14,17)
InChIKeyXKWSHTSVWHSTPR-UHFFFAOYSA-N
XLogP-1.98
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-1.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-(2,3-diamino-3-oxopropyl)-N-propan-2-ylmorpholine-3-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

4-(2-carbamothioyl-3,3,3-trifluoropropyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 103368813
ethyl 2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]acetate
CID 83103448
4-(2-cyclopentyl-2-oxoethyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 104751052
potassium trifluoro-[[3-(propan-2-ylcarbamoyl)morpholin-4-yl]methyl]boranuide
CID 83104637
3-N-propan-2-ylmorpholine-3,4-dicarboxamide
CID 83106391
4-[2-oxo-2-(oxolan-3-yl)ethyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 104751051
4-[2-(tert-butylamino)ethyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 107446496
4-(6-hydrazinyl-6-oxohexyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83105862
4-[(2S)-2-aminopentanoyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 107570452
4-[[2-(aminomethyl)phenyl]methyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83098587
N,4-di(propan-2-yl)morpholine-3-carboxamide
CID 118118161
(3S)-N,4-di(propan-2-yl)morpholine-3-carboxamide
CID 140959044

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-diamino-3-oxopropyl)-N-propan-2-ylmorpholine-3-carboxamide?
The IUPAC name of 4-(2,3-diamino-3-oxopropyl)-N-propan-2-ylmorpholine-3-carboxamide (CID 83103304) is 4-(2,3-diamino-3-oxopropyl)-N-propan-2-ylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(2,3-diamino-3-oxopropyl)-N-propan-2-ylmorpholine-3-carboxamide?
The canonical SMILES for 4-(2,3-diamino-3-oxopropyl)-N-propan-2-ylmorpholine-3-carboxamide is CC(C)NC(=O)C1COCCN1CC(N)C(N)=O.
What is the InChIKey of 4-(2,3-diamino-3-oxopropyl)-N-propan-2-ylmorpholine-3-carboxamide?
The InChIKey is XKWSHTSVWHSTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O3/c1-7(2)14-11(17)9-6-18-4-3-15(9)5-8(12)10(13)16/h7-9H,3-6,12H2,1-2H3,(H2,13,16)(H,14,17).
What are the key properties of 4-(2,3-diamino-3-oxopropyl)-N-propan-2-ylmorpholine-3-carboxamide?
4-(2,3-diamino-3-oxopropyl)-N-propan-2-ylmorpholine-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of -1.98, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-diamino-3-oxopropyl)-N-propan-2-ylmorpholine-3-carboxamide is sourced from PubChem (CID 83103304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).