(2S)-2-[(2R)-2-(cyclopropanecarbonyl)morpholin-4-yl]-N-(propan-2-ylcarbamoyl)propanamide

C15H25N3O4 — CID 124729166

IUPAC(2S)-2-[(2R)-2-(cyclopropanecarbonyl)morpholin-4-yl]-N-(propan-2-ylcarbamoyl)propanamide
SMILESCC(C)NC(=O)NC(=O)[C@H](C)N1CCO[C@@H](C(=O)C2CC2)C1
InChIInChI=1S/C15H25N3O4/c1-9(2)16-15(21)17-14(20)10(3)18-6-7-22-12(8-18)13(19)11-4-5-11/h9-12H,4-8H2,1-3H3,(H2,16,17,20,21)/t10-,12+/m0/s1
InChIKeyFWVLEPXUGZGQRQ-CMPLNLGQSA-N
MW311.38 g/mol
LogP0.29
Rot. Bonds5

About (2S)-2-[(2R)-2-(cyclopropanecarbonyl)morpholin-4-yl]-N-(propan-2-ylcarbamoyl)propanamide

(2S)-2-[(2R)-2-(cyclopropanecarbonyl)morpholin-4-yl]-N-(propan-2-ylcarbamoyl)propanamide (PubChem CID 124729166) has the molecular formula C15H25N3O4 and a molecular weight of 311.38 g/mol. Its IUPAC name is (2S)-2-[(2R)-2-(cyclopropanecarbonyl)morpholin-4-yl]-N-(propan-2-ylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(2R)-2-(cyclopropanecarbonyl)morpholin-4-yl]-N-(propan-2-ylcarbamoyl)propanamide
PubChem CID124729166
Molecular FormulaC15H25N3O4
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Name(2S)-2-[(2R)-2-(cyclopropanecarbonyl)morpholin-4-yl]-N-(propan-2-ylcarbamoyl)propanamide
SMILESCC(C)NC(=O)NC(=O)[C@H](C)N1CCO[C@@H](C(=O)C2CC2)C1
InChIInChI=1S/C15H25N3O4/c1-9(2)16-15(21)17-14(20)10(3)18-6-7-22-12(8-18)13(19)11-4-5-11/h9-12H,4-8H2,1-3H3,(H2,16,17,20,21)/t10-,12+/m0/s1
InChIKeyFWVLEPXUGZGQRQ-CMPLNLGQSA-N
XLogP0.29
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[(2R)-2-(cyclopropanecarbonyl)morpholin-4-yl]-N-(propan-2-ylcarbamoyl)propanamide with MolForge

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Related Compounds

methyl 4-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]morpholine-2-carboxylate
CID 78926451
(2R)-N-methyl-4-[(2R)-1-oxo-1-(2,2,2-trifluoroethylcarbamoylamino)propan-2-yl]morpholine-2-carboxamide
CID 124741883
cyclopropyl-[(2R)-4-[(1S)-1-(4-propan-2-ylphenyl)ethyl]morpholin-2-yl]methanone
CID 124737738
2-[2-(aminomethyl)morpholin-4-yl]-N-propan-2-ylpropanamide
CID 61338185
4-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]morpholine-2-carboxamide
CID 49451109
2-(2-carbamothioylmorpholin-4-yl)-N-pentan-3-ylpropanamide
CID 79680833
2-[2-(aminomethyl)morpholin-4-yl]-N-(ethylcarbamoyl)propanamide
CID 61338002
2-(2-carbamothioylmorpholin-4-yl)-N-propylpropanamide
CID 79681745
(2R)-N-(cyclohexylcarbamoyl)-2-morpholin-4-ylpropanamide
CID 8903762
(2R)-N-carbamoyl-2-[(2S)-2-ethylmorpholin-4-yl]propanamide
CID 98752361
(2S)-2-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-N-(methylcarbamoyl)propanamide
CID 95317625
methyl 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 78920334

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R)-2-(cyclopropanecarbonyl)morpholin-4-yl]-N-(propan-2-ylcarbamoyl)propanamide?
The IUPAC name of (2S)-2-[(2R)-2-(cyclopropanecarbonyl)morpholin-4-yl]-N-(propan-2-ylcarbamoyl)propanamide (CID 124729166) is (2S)-2-[(2R)-2-(cyclopropanecarbonyl)morpholin-4-yl]-N-(propan-2-ylcarbamoyl)propanamide.
What is the SMILES notation for (2S)-2-[(2R)-2-(cyclopropanecarbonyl)morpholin-4-yl]-N-(propan-2-ylcarbamoyl)propanamide?
The canonical SMILES for (2S)-2-[(2R)-2-(cyclopropanecarbonyl)morpholin-4-yl]-N-(propan-2-ylcarbamoyl)propanamide is CC(C)NC(=O)NC(=O)[C@H](C)N1CCO[C@@H](C(=O)C2CC2)C1.
What is the InChIKey of (2S)-2-[(2R)-2-(cyclopropanecarbonyl)morpholin-4-yl]-N-(propan-2-ylcarbamoyl)propanamide?
The InChIKey is FWVLEPXUGZGQRQ-CMPLNLGQSA-N. The full InChI is InChI=1S/C15H25N3O4/c1-9(2)16-15(21)17-14(20)10(3)18-6-7-22-12(8-18)13(19)11-4-5-11/h9-12H,4-8H2,1-3H3,(H2,16,17,20,21)/t10-,12+/m0/s1.
What are the key properties of (2S)-2-[(2R)-2-(cyclopropanecarbonyl)morpholin-4-yl]-N-(propan-2-ylcarbamoyl)propanamide?
(2S)-2-[(2R)-2-(cyclopropanecarbonyl)morpholin-4-yl]-N-(propan-2-ylcarbamoyl)propanamide has a molecular weight of 311.38 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R)-2-(cyclopropanecarbonyl)morpholin-4-yl]-N-(propan-2-ylcarbamoyl)propanamide is sourced from PubChem (CID 124729166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).