(2S)-3-hydroxy-3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylpropanamide;vanadium

C10H20N2O3V — CID 159274236

IUPAC(2S)-3-hydroxy-3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylpropanamide;vanadium
SMILESCOC1C[C@@H](C(O)[C@H](C)C(N)=O)N(C)C1.[V]
InChIInChI=1S/C10H20N2O3.V/c1-6(10(11)14)9(13)8-4-7(15-3)5-12(8)2;/h6-9,13H,4-5H2,1-3H3,(H2,11,14);/t6-,7?,8-,9?;/m0./s1
InChIKeyKYCDVJJNTPSKGW-CDMKUEKWSA-N
MW267.22 g/mol
LogP-0.81
Rot. Bonds4

About (2S)-3-hydroxy-3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylpropanamide;vanadium

(2S)-3-hydroxy-3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylpropanamide;vanadium (PubChem CID 159274236) has the molecular formula C10H20N2O3V and a molecular weight of 267.22 g/mol. Its IUPAC name is (2S)-3-hydroxy-3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylpropanamide;vanadium.

Molecular Properties

Compound Name(2S)-3-hydroxy-3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylpropanamide;vanadium
PubChem CID159274236
Molecular FormulaC10H20N2O3V
Molecular Weight267.22 g/mol
Exact Mass267.09
IUPAC Name(2S)-3-hydroxy-3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylpropanamide;vanadium
SMILESCOC1C[C@@H](C(O)[C@H](C)C(N)=O)N(C)C1.[V]
InChIInChI=1S/C10H20N2O3.V/c1-6(10(11)14)9(13)8-4-7(15-3)5-12(8)2;/h6-9,13H,4-5H2,1-3H3,(H2,11,14);/t6-,7?,8-,9?;/m0./s1
InChIKeyKYCDVJJNTPSKGW-CDMKUEKWSA-N
XLogP-0.81
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.22
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylbutan-1-ol
CID 59953233
1-(4-methoxy-1-methylpyrrolidin-2-yl)-2-methylbutan-1-ol
CID 20647905
(2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methyl-3-(methylamino)propan-1-ol
CID 59953228
(2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methyl-3-(methylideneamino)propan-1-ol
CID 59885099
(4R)-2-(1-hydroxyethyl)-4-methoxypyrrolidine-1-carboxylic acid
CID 166681264
1-ethyl-4-methoxy-2-propan-2-ylpyrrolidine;4-methoxy-1-methyl-2-propan-2-ylpyrrolidine;propane
CID 178105166
(2R,4R)-4-methoxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 66986168
(2S,4R)-4-methoxy-1-methylpyrrolidin-2-ol
CID 89090789
(1,5-dimethylpyrrolidin-3-yl) 2-methylpropanoate
CID 137430030
(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidine-1-carboxamide
CID 127011619
(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carboxamide
CID 167729627
tert-butyl (2S,4R)-2-(dihydroxymethyl)-4-methoxypyrrolidine-1-carboxylate
CID 174342667

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylpropanamide;vanadium?
The IUPAC name of (2S)-3-hydroxy-3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylpropanamide;vanadium (CID 159274236) is (2S)-3-hydroxy-3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylpropanamide;vanadium.
What is the SMILES notation for (2S)-3-hydroxy-3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylpropanamide;vanadium?
The canonical SMILES for (2S)-3-hydroxy-3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylpropanamide;vanadium is COC1C[C@@H](C(O)[C@H](C)C(N)=O)N(C)C1.[V].
What is the InChIKey of (2S)-3-hydroxy-3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylpropanamide;vanadium?
The InChIKey is KYCDVJJNTPSKGW-CDMKUEKWSA-N. The full InChI is InChI=1S/C10H20N2O3.V/c1-6(10(11)14)9(13)8-4-7(15-3)5-12(8)2;/h6-9,13H,4-5H2,1-3H3,(H2,11,14);/t6-,7?,8-,9?;/m0./s1.
What are the key properties of (2S)-3-hydroxy-3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylpropanamide;vanadium?
(2S)-3-hydroxy-3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylpropanamide;vanadium has a molecular weight of 267.22 g/mol, XLogP of -0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylpropanamide;vanadium is sourced from PubChem (CID 159274236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).