4-methyl-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid

C13H23N3O4 — CID 79071056

IUPAC4-methyl-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)NCC2CN(C)CCO2)CC1C(=O)O
InChIInChI=1S/C13H23N3O4/c1-9-6-16(8-11(9)12(17)18)13(19)14-5-10-7-15(2)3-4-20-10/h9-11H,3-8H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyPTCBTVXIFNWNMF-UHFFFAOYSA-N
MW285.34 g/mol
LogP-0.32
Rot. Bonds3

About 4-methyl-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid

4-methyl-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 79071056) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 4-methyl-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID79071056
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name4-methyl-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)NCC2CN(C)CCO2)CC1C(=O)O
InChIInChI=1S/C13H23N3O4/c1-9-6-16(8-11(9)12(17)18)13(19)14-5-10-7-15(2)3-4-20-10/h9-11H,3-8H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyPTCBTVXIFNWNMF-UHFFFAOYSA-N
XLogP-0.32
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63720407
2-[(4-methylmorpholin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 113361141
2-[4-[(4-methylmorpholin-2-yl)methylcarbamoyl]piperazin-1-yl]acetic acid
CID 79083458
N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide
CID 170608678
N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 69087754
4-methyl-N-[(4-methylmorpholin-2-yl)methyl]pyrrolidine-3-carboxamide
CID 79083173
(2S)-4-hydroxy-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 79072248
1-[(4-methylmorpholin-2-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 79070971
2-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]propanamide
CID 153398973
methyl 2-[(4-methylmorpholin-2-yl)methylamino]-2-oxoacetate
CID 112617409
2,3-dimethyl-4-[(4-methylmorpholin-2-yl)methylamino]-4-oxobutanoic acid
CID 103498729
2-amino-3-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide
CID 79071178

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid (CID 79071056) is 4-methyl-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid is CC1CN(C(=O)NCC2CN(C)CCO2)CC1C(=O)O.
What is the InChIKey of 4-methyl-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is PTCBTVXIFNWNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-9-6-16(8-11(9)12(17)18)13(19)14-5-10-7-15(2)3-4-20-10/h9-11H,3-8H2,1-2H3,(H,14,19)(H,17,18).
What are the key properties of 4-methyl-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid?
4-methyl-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79071056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).