2-[1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]pyrrolidin-3-yl]acetic acid

C12H22N2O4 — CID 79379381

IUPAC2-[1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]pyrrolidin-3-yl]acetic acid
SMILESCN(CC(C)(C)O)C(=O)N1CCC(CC(=O)O)C1
InChIInChI=1S/C12H22N2O4/c1-12(2,18)8-13(3)11(17)14-5-4-9(7-14)6-10(15)16/h9,18H,4-8H2,1-3H3,(H,15,16)
InChIKeyCQXDUBDUTFMARY-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.61
Rot. Bonds4

About 2-[1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]pyrrolidin-3-yl]acetic acid

2-[1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]pyrrolidin-3-yl]acetic acid (PubChem CID 79379381) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]pyrrolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]pyrrolidin-3-yl]acetic acid
PubChem CID79379381
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-[1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]pyrrolidin-3-yl]acetic acid
SMILESCN(CC(C)(C)O)C(=O)N1CCC(CC(=O)O)C1
InChIInChI=1S/C12H22N2O4/c1-12(2,18)8-13(3)11(17)14-5-4-9(7-14)6-10(15)16/h9,18H,4-8H2,1-3H3,(H,15,16)
InChIKeyCQXDUBDUTFMARY-UHFFFAOYSA-N
XLogP0.61
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[methyl(2-propan-2-yloxyethyl)carbamoyl]pyrrolidin-3-yl]acetic acid
CID 81058040
1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]piperidine-3-carboxylic acid
CID 79385471
2-[1-[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]piperidin-3-yl]acetic acid
CID 63209312
2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]-methylamino]acetic acid
CID 64597214
2-(1-prop-1-en-2-ylpyrrolidin-3-yl)acetic acid
CID 19705453
2-[1-(2-amino-2-methylbutanoyl)pyrrolidin-3-yl]acetic acid
CID 79811148
2-[1-[methyl-[2-(methylamino)ethyl]carbamoyl]piperidin-4-yl]acetic acid
CID 79605780
2-[1-[methyl(propan-2-yl)carbamoyl]piperidin-4-yl]acetic acid
CID 79609047
(3R)-3-(2,2-dimethylpropyl)-N,N-dimethylpyrrolidine-1-carboxamide
CID 164775319
2-[1-(2-cyclopropylpropanoyl)pyrrolidin-3-yl]acetic acid
CID 83147525
2-[1-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]piperidin-3-yl]acetic acid
CID 62676642
2-(1-methylpyrrolidin-3-yl)acetic acid
CID 19362950

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]pyrrolidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]pyrrolidin-3-yl]acetic acid (CID 79379381) is 2-[1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]pyrrolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]pyrrolidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]pyrrolidin-3-yl]acetic acid is CN(CC(C)(C)O)C(=O)N1CCC(CC(=O)O)C1.
What is the InChIKey of 2-[1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]pyrrolidin-3-yl]acetic acid?
The InChIKey is CQXDUBDUTFMARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-12(2,18)8-13(3)11(17)14-5-4-9(7-14)6-10(15)16/h9,18H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 2-[1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]pyrrolidin-3-yl]acetic acid?
2-[1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]pyrrolidin-3-yl]acetic acid has a molecular weight of 258.32 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]pyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 79379381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).