4-methoxy-1-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid

C13H20N4O4 — CID 61439869

IUPAC4-methoxy-1-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)N(C)Cc2cnn(C)c2)C1
InChIInChI=1S/C13H20N4O4/c1-15(6-9-5-14-16(2)7-9)13(20)17-8-10(21-3)4-11(17)12(18)19/h5,7,10-11H,4,6,8H2,1-3H3,(H,18,19)
InChIKeyVQOXVZLYCHWQRU-UHFFFAOYSA-N
MW296.33 g/mol
LogP0.15
Rot. Bonds4

About 4-methoxy-1-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid

4-methoxy-1-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 61439869) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-methoxy-1-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-1-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID61439869
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name4-methoxy-1-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)N(C)Cc2cnn(C)c2)C1
InChIInChI=1S/C13H20N4O4/c1-15(6-9-5-14-16(2)7-9)13(20)17-8-10(21-3)4-11(17)12(18)19/h5,7,10-11H,4,6,8H2,1-3H3,(H,18,19)
InChIKeyVQOXVZLYCHWQRU-UHFFFAOYSA-N
XLogP0.15
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-1-[methyl(thiophen-3-ylmethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61197545
4-methoxy-1-[methyl(pyridin-2-ylmethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61201169
1-[2-(dimethylamino)ethyl-methylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 63700451
4-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]thiomorpholine-3-carboxylic acid
CID 82905115
4-methoxy-1-[4-[[methyl(2-methylpropanoyl)amino]methyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 120534511
2-[1-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid
CID 64618242
3-amino-2-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 106111942
4-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 63784679
1-[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 103190203
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151
cis-(1R,3S)-2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 114091934
2-[methyl-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid
CID 61440246

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-methoxy-1-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid (CID 61439869) is 4-methoxy-1-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-1-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-methoxy-1-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid is COC1CC(C(=O)O)N(C(=O)N(C)Cc2cnn(C)c2)C1.
What is the InChIKey of 4-methoxy-1-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is VQOXVZLYCHWQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-15(6-9-5-14-16(2)7-9)13(20)17-8-10(21-3)4-11(17)12(18)19/h5,7,10-11H,4,6,8H2,1-3H3,(H,18,19).
What are the key properties of 4-methoxy-1-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid?
4-methoxy-1-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 296.33 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61439869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).