(2S,4S)-4-amino-1-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide

C17H32N4O2 — CID 56706547

IUPAC(2S,4S)-4-amino-1-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide
SMILESCN1C[C@@H](N)C[C@H]1C(=O)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C17H32N4O2/c1-20-12-14(18)11-15(20)16(22)19-13-17(5-3-2-4-6-17)21-7-9-23-10-8-21/h14-15H,2-13,18H2,1H3,(H,19,22)/t14-,15-/m0/s1
InChIKeyODSSKMQOTYTSCG-GJZGRUSLSA-N
MW324.47 g/mol
LogP0.17
Rot. Bonds4

About (2S,4S)-4-amino-1-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide

(2S,4S)-4-amino-1-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 56706547) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is (2S,4S)-4-amino-1-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-1-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide
PubChem CID56706547
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC Name(2S,4S)-4-amino-1-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide
SMILESCN1C[C@@H](N)C[C@H]1C(=O)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C17H32N4O2/c1-20-12-14(18)11-15(20)16(22)19-13-17(5-3-2-4-6-17)21-7-9-23-10-8-21/h14-15H,2-13,18H2,1H3,(H,19,22)/t14-,15-/m0/s1
InChIKeyODSSKMQOTYTSCG-GJZGRUSLSA-N
XLogP0.17
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(3-methyl-1-{[3-(morpholin-4-yl)propyl]amino}-1-oxobutan-2-yl)cyclohexanecarboxamide
CID 3243058
(2S)-1-butanoyl-N-[(2S)-3-cyclohexyl-1-[[2-methyl-1-[[2-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-[[2-methyl-1-[[(2S)-4-methyl-1-[[3-[[(2S)-1-morpholin-4-ylpropan-2-yl]amino]-3-oxopropyl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxodecan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
CID 156018430
N-cyclooctyl-2-methyl-1-(2-morpholin-4-ylethyl)-5-oxoprolinamide
CID 3241536
1-cyclohexyl-N-(2-morpholin-4-ylethyl)-5-oxoprolinamide
CID 3237581
N~2~-[(4-methylcyclohexyl)carbonyl]-N-[2-(morpholin-4-yl)ethyl]leucinamide
CID 16478659
N-cyclohexyl-1-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 51361540
1-cyclohexyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 3319860
N-[2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 25163204
1-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclohexane-1-carboxamide
CID 71880006
(2S)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide
CID 75411467
(2S)-1-[1-(methylcarbamoyl)cyclohexyl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide
CID 75411487
N-[2-[1-(2-methoxyethyl)-2-oxo-1,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]acetamide
CID 97493744

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-1-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-1-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide (CID 56706547) is (2S,4S)-4-amino-1-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-1-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-1-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide is CN1C[C@@H](N)C[C@H]1C(=O)NCC1(N2CCOCC2)CCCCC1.
What is the InChIKey of (2S,4S)-4-amino-1-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is ODSSKMQOTYTSCG-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-20-12-14(18)11-15(20)16(22)19-13-17(5-3-2-4-6-17)21-7-9-23-10-8-21/h14-15H,2-13,18H2,1H3,(H,19,22)/t14-,15-/m0/s1.
What are the key properties of (2S,4S)-4-amino-1-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide?
(2S,4S)-4-amino-1-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 324.47 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-1-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 56706547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).