(4R)-3-hydroxy-2-(1-hydroxyethyl)-4-methyl-5-oxopyrrolidine-2-carboxylic acid;vanadium

C8H13NO5V — CID 160517386

IUPAC(4R)-3-hydroxy-2-(1-hydroxyethyl)-4-methyl-5-oxopyrrolidine-2-carboxylic acid;vanadium
SMILESCC(O)C1(C(=O)O)NC(=O)[C@H](C)C1O.[V]
InChIInChI=1S/C8H13NO5.V/c1-3-5(11)8(4(2)10,7(13)14)9-6(3)12;/h3-5,10-11H,1-2H3,(H,9,12)(H,13,14);/t3-,4?,5?,8?;/m1./s1
InChIKeyQTVFTFQPOZXYGF-VPXSVNJFSA-N
MW254.14 g/mol
LogP-1.69
Rot. Bonds2

About (4R)-3-hydroxy-2-(1-hydroxyethyl)-4-methyl-5-oxopyrrolidine-2-carboxylic acid;vanadium

(4R)-3-hydroxy-2-(1-hydroxyethyl)-4-methyl-5-oxopyrrolidine-2-carboxylic acid;vanadium (PubChem CID 160517386) has the molecular formula C8H13NO5V and a molecular weight of 254.14 g/mol. Its IUPAC name is (4R)-3-hydroxy-2-(1-hydroxyethyl)-4-methyl-5-oxopyrrolidine-2-carboxylic acid;vanadium.

Molecular Properties

Compound Name(4R)-3-hydroxy-2-(1-hydroxyethyl)-4-methyl-5-oxopyrrolidine-2-carboxylic acid;vanadium
PubChem CID160517386
Molecular FormulaC8H13NO5V
Molecular Weight254.14 g/mol
Exact Mass254.02
IUPAC Name(4R)-3-hydroxy-2-(1-hydroxyethyl)-4-methyl-5-oxopyrrolidine-2-carboxylic acid;vanadium
SMILESCC(O)C1(C(=O)O)NC(=O)[C@H](C)C1O.[V]
InChIInChI=1S/C8H13NO5.V/c1-3-5(11)8(4(2)10,7(13)14)9-6(3)12;/h3-5,10-11H,1-2H3,(H,9,12)(H,13,14);/t3-,4?,5?,8?;/m1./s1
InChIKeyQTVFTFQPOZXYGF-VPXSVNJFSA-N
XLogP-1.69
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.14
LogP ≤ 5-1.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidine-2-carboxylic acid
CID 10977305
methyl 3-hydroxy-2-(1-hydroxyethyl)-4-methyl-5-oxopyrrolidine-2-carboxylate
CID 20588526
(2S,3S,4S)-2-[(1S)-1-benzoyloxy-2-methylpropyl]-3-hydroxy-4-methyl-5-oxopyrrolidine-2-carboxylic acid
CID 11667159
(2S)-2-acetamido-3-[(2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidine-2-carbonyl]sulfanylpropanoic acid
CID 59914176
diiodovanadium;(1R,4R,5S)-1-(1-hydroxyethyl)-4-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
CID 158193630
(2R)-2-[(3aR,6aR)-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]propanoic acid
CID 129321650
cis-(1R,2R)-1-[(1R)-1-hydroxyethyl]-2-methylcyclopropane-1-carboxylic acid
CID 15362374
3,4-dimethylpyrrolidine-2,5-dione
CID 3550866
5-(1-hydroxy-2-methylpropyl)imidazolidine-2,4-dione
CID 67857556
2-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)propanoic acid
CID 79180820
(3R,6S)-3-[(1S)-1-hydroxyethyl]-6-methylpiperazine-2,5-dione
CID 129321124
(2R)-2-[(3aR,7aR)-1,3-dioxo-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,4-c]pyridin-5-yl]propanoic acid
CID 129498259

Frequently Asked Questions

What is the IUPAC name of (4R)-3-hydroxy-2-(1-hydroxyethyl)-4-methyl-5-oxopyrrolidine-2-carboxylic acid;vanadium?
The IUPAC name of (4R)-3-hydroxy-2-(1-hydroxyethyl)-4-methyl-5-oxopyrrolidine-2-carboxylic acid;vanadium (CID 160517386) is (4R)-3-hydroxy-2-(1-hydroxyethyl)-4-methyl-5-oxopyrrolidine-2-carboxylic acid;vanadium.
What is the SMILES notation for (4R)-3-hydroxy-2-(1-hydroxyethyl)-4-methyl-5-oxopyrrolidine-2-carboxylic acid;vanadium?
The canonical SMILES for (4R)-3-hydroxy-2-(1-hydroxyethyl)-4-methyl-5-oxopyrrolidine-2-carboxylic acid;vanadium is CC(O)C1(C(=O)O)NC(=O)[C@H](C)C1O.[V].
What is the InChIKey of (4R)-3-hydroxy-2-(1-hydroxyethyl)-4-methyl-5-oxopyrrolidine-2-carboxylic acid;vanadium?
The InChIKey is QTVFTFQPOZXYGF-VPXSVNJFSA-N. The full InChI is InChI=1S/C8H13NO5.V/c1-3-5(11)8(4(2)10,7(13)14)9-6(3)12;/h3-5,10-11H,1-2H3,(H,9,12)(H,13,14);/t3-,4?,5?,8?;/m1./s1.
What are the key properties of (4R)-3-hydroxy-2-(1-hydroxyethyl)-4-methyl-5-oxopyrrolidine-2-carboxylic acid;vanadium?
(4R)-3-hydroxy-2-(1-hydroxyethyl)-4-methyl-5-oxopyrrolidine-2-carboxylic acid;vanadium has a molecular weight of 254.14 g/mol, XLogP of -1.69, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-hydroxy-2-(1-hydroxyethyl)-4-methyl-5-oxopyrrolidine-2-carboxylic acid;vanadium is sourced from PubChem (CID 160517386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).