4-hydroxy-1-(2-methylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid

C11H18N2O4 — CID 61207457

IUPAC4-hydroxy-1-(2-methylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1CCCN1C(=O)N1CC(O)CC1C(=O)O
InChIInChI=1S/C11H18N2O4/c1-7-3-2-4-12(7)11(17)13-6-8(14)5-9(13)10(15)16/h7-9,14H,2-6H2,1H3,(H,15,16)
InChIKeyVTUYWNGFQCAQRO-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.11
Rot. Bonds1

About 4-hydroxy-1-(2-methylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid

4-hydroxy-1-(2-methylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 61207457) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 4-hydroxy-1-(2-methylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(2-methylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID61207457
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name4-hydroxy-1-(2-methylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1CCCN1C(=O)N1CC(O)CC1C(=O)O
InChIInChI=1S/C11H18N2O4/c1-7-3-2-4-12(7)11(17)13-6-8(14)5-9(13)10(15)16/h7-9,14H,2-6H2,1H3,(H,15,16)
InChIKeyVTUYWNGFQCAQRO-UHFFFAOYSA-N
XLogP0.11
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-hydroxy-1-(2-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61187524
(2S,4R)-4-hydroxy-1-(3-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 55260359
(2R,4R)-1-(2-cyclopentylpyrrolidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000492
4-hydroxy-1-(4-methylazepane-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 63625992
(2S,4S)-4-hydroxy-1-(4-methylazepane-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 64713242
4-methyl-1-(2-methylazepane-1-carbonyl)piperidine-2-carboxylic acid
CID 114425614
(2R,4R)-4-hydroxy-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 102885024
4-hydroxy-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 102885046
(2S)-1-(2-ethylpiperidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61196770
(2S,4R)-1-(3,4-dimethylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63843405
(2S,4R)-4-hydroxy-1-(2-methoxycarbonylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 115535190
(2S,4R)-4-hydroxy-1-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 63841692

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-methylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(2-methylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid (CID 61207457) is 4-hydroxy-1-(2-methylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(2-methylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(2-methylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid is CC1CCCN1C(=O)N1CC(O)CC1C(=O)O.
What is the InChIKey of 4-hydroxy-1-(2-methylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is VTUYWNGFQCAQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-7-3-2-4-12(7)11(17)13-6-8(14)5-9(13)10(15)16/h7-9,14H,2-6H2,1H3,(H,15,16).
What are the key properties of 4-hydroxy-1-(2-methylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
4-hydroxy-1-(2-methylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 242.27 g/mol, XLogP of 0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-methylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61207457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).