4-hydroxy-3-methylpyrrolidine-1,3-dicarboxylic acid

C7H11NO5 — CID 91142406

IUPAC4-hydroxy-3-methylpyrrolidine-1,3-dicarboxylic acid
SMILESCC1(C(=O)O)CN(C(=O)O)CC1O
InChIInChI=1S/C7H11NO5/c1-7(5(10)11)3-8(6(12)13)2-4(7)9/h4,9H,2-3H2,1H3,(H,10,11)(H,12,13)
InChIKeyYORJGGONEFSPKL-UHFFFAOYSA-N
MW189.17 g/mol
LogP-0.57
Rot. Bonds1

About 4-hydroxy-3-methylpyrrolidine-1,3-dicarboxylic acid

4-hydroxy-3-methylpyrrolidine-1,3-dicarboxylic acid (PubChem CID 91142406) has the molecular formula C7H11NO5 and a molecular weight of 189.17 g/mol. Its IUPAC name is 4-hydroxy-3-methylpyrrolidine-1,3-dicarboxylic acid.

Molecular Properties

Compound Name4-hydroxy-3-methylpyrrolidine-1,3-dicarboxylic acid
PubChem CID91142406
Molecular FormulaC7H11NO5
Molecular Weight189.17 g/mol
Exact Mass189.06
IUPAC Name4-hydroxy-3-methylpyrrolidine-1,3-dicarboxylic acid
SMILESCC1(C(=O)O)CN(C(=O)O)CC1O
InChIInChI=1S/C7H11NO5/c1-7(5(10)11)3-8(6(12)13)2-4(7)9/h4,9H,2-3H2,1H3,(H,10,11)(H,12,13)
InChIKeyYORJGGONEFSPKL-UHFFFAOYSA-N
XLogP-0.57
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-3-methylpiperidine-1,3-dicarboxylic acid
CID 174806743
(3S)-1-(2,2-dimethyl-1-phenylpropoxy)carbonyl-4-hydroxy-3-methylpyrrolidine-3-carboxylic acid
CID 68862737
3-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-1,3-dicarboxylic acid
CID 91603586
(3R)-4-hydroxy-3-methyl-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylic acid
CID 68945895
3-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidine-1,3-dicarboxylic acid
CID 175882393
(1R)-1,2-dimethylcyclopropane-1-carboxylic acid
CID 69400955
(2S)-2-methylaziridine-1,2-dicarboxylic acid
CID 91246194
(3R,4R)-4-amino-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 175374024
3-ethyl-4-(fluoromethyl)pyrrolidine-1,3-dicarboxylic acid
CID 91344277
3-methylpyrrolidine-1,3-dicarboxylic acid
CID 23111893
trans-(1R,2R)-2-bromo-1-methylcyclopropane-1-carboxylic acid
CID 6355513
3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 91755185

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methylpyrrolidine-1,3-dicarboxylic acid?
The IUPAC name of 4-hydroxy-3-methylpyrrolidine-1,3-dicarboxylic acid (CID 91142406) is 4-hydroxy-3-methylpyrrolidine-1,3-dicarboxylic acid.
What is the SMILES notation for 4-hydroxy-3-methylpyrrolidine-1,3-dicarboxylic acid?
The canonical SMILES for 4-hydroxy-3-methylpyrrolidine-1,3-dicarboxylic acid is CC1(C(=O)O)CN(C(=O)O)CC1O.
What is the InChIKey of 4-hydroxy-3-methylpyrrolidine-1,3-dicarboxylic acid?
The InChIKey is YORJGGONEFSPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO5/c1-7(5(10)11)3-8(6(12)13)2-4(7)9/h4,9H,2-3H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 4-hydroxy-3-methylpyrrolidine-1,3-dicarboxylic acid?
4-hydroxy-3-methylpyrrolidine-1,3-dicarboxylic acid has a molecular weight of 189.17 g/mol, XLogP of -0.57, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methylpyrrolidine-1,3-dicarboxylic acid is sourced from PubChem (CID 91142406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).