5-[[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylic acid

C11H17N3O4 — CID 99960543

IUPAC5-[[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylic acid
SMILESCOC[C@@H]1CCN(Cc2[nH]c(=O)[nH]c2C(=O)O)C1
InChIInChI=1S/C11H17N3O4/c1-18-6-7-2-3-14(4-7)5-8-9(10(15)16)13-11(17)12-8/h7H,2-6H2,1H3,(H,15,16)(H2,12,13,17)/t7-/m1/s1
InChIKeyJNUYVMUCCFKEON-SSDOTTSWSA-N
MW255.27 g/mol
LogP-0.13
Rot. Bonds5

About 5-[[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylic acid

5-[[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylic acid (PubChem CID 99960543) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 5-[[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylic acid
PubChem CID99960543
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name5-[[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylic acid
SMILESCOC[C@@H]1CCN(Cc2[nH]c(=O)[nH]c2C(=O)O)C1
InChIInChI=1S/C11H17N3O4/c1-18-6-7-2-3-14(4-7)5-8-9(10(15)16)13-11(17)12-8/h7H,2-6H2,1H3,(H,15,16)(H2,12,13,17)/t7-/m1/s1
InChIKeyJNUYVMUCCFKEON-SSDOTTSWSA-N
XLogP-0.13
TPSA98.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylic acid 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

2-[3-(methoxymethyl)pyrrolidin-1-yl]acetic acid
CID 64599596
2-[4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetic acid
CID 105346064
2-butyl-4-chloro-5-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1H-imidazole
CID 99929827
5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid
CID 64598988
2-[4-chloro-2-[[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 99933372
4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carboxylic acid
CID 64598386
2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoic acid
CID 64599478
1-[4-methoxy-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]ethanone
CID 64596974
3-[[4-(methoxymethyl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 63973293
2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]aniline
CID 64570821
2-[3-(methoxymethyl)pyrrolidin-1-yl]acetaldehyde
CID 64598603
6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-1-ol
CID 103737990

Frequently Asked Questions

What is the IUPAC name of 5-[[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylic acid?
The IUPAC name of 5-[[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylic acid (CID 99960543) is 5-[[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylic acid.
What is the SMILES notation for 5-[[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylic acid?
The canonical SMILES for 5-[[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylic acid is COC[C@@H]1CCN(Cc2[nH]c(=O)[nH]c2C(=O)O)C1.
What is the InChIKey of 5-[[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylic acid?
The InChIKey is JNUYVMUCCFKEON-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-18-6-7-2-3-14(4-7)5-8-9(10(15)16)13-11(17)12-8/h7H,2-6H2,1H3,(H,15,16)(H2,12,13,17)/t7-/m1/s1.
What are the key properties of 5-[[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylic acid?
5-[[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylic acid has a molecular weight of 255.27 g/mol, XLogP of -0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylic acid is sourced from PubChem (CID 99960543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).