(2R)-1-[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid

C13H22N2O5 — CID 104985552

IUPAC(2R)-1-[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCN(CC1(O)CCOCC1)C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C13H22N2O5/c1-14(9-13(19)4-7-20-8-5-13)12(18)15-6-2-3-10(15)11(16)17/h10,19H,2-9H2,1H3,(H,16,17)/t10-/m1/s1
InChIKeyWPLZSHDTSBIOGQ-SNVBAGLBSA-N
MW286.33 g/mol
LogP0.13
Rot. Bonds3

About (2R)-1-[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 104985552) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2R)-1-[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID104985552
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name(2R)-1-[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCN(CC1(O)CCOCC1)C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C13H22N2O5/c1-14(9-13(19)4-7-20-8-5-13)12(18)15-6-2-3-10(15)11(16)17/h10,19H,2-9H2,1H3,(H,16,17)/t10-/m1/s1
InChIKeyWPLZSHDTSBIOGQ-SNVBAGLBSA-N
XLogP0.13
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]azepane-2-carboxylic acid
CID 114950755
1-[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid
CID 114950906
(2R)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 55226778
1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61196249
(2R)-1-[3-(dimethylamino)propyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78948208
1-[methyl(pentyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61197967
(2R)-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 55149110
(2S)-1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 78967840
(2R)-1-[methyl(pentan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78922876
1-[methyl-(2-methylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 55004724
1-[cyclopentylmethyl(methyl)carbamoyl]azepane-2-carboxylic acid
CID 64564499
(2R)-1-[2-cyanopropyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78922561

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid (CID 104985552) is (2R)-1-[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid is CN(CC1(O)CCOCC1)C(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is WPLZSHDTSBIOGQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-14(9-13(19)4-7-20-8-5-13)12(18)15-6-2-3-10(15)11(16)17/h10,19H,2-9H2,1H3,(H,16,17)/t10-/m1/s1.
What are the key properties of (2R)-1-[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 104985552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).