2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid

C13H22N2O4 — CID 103357296

IUPAC2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(O)CCN(C(=O)NC2CCCC2(C)C(=O)O)C1
InChIInChI=1S/C13H22N2O4/c1-12(19)6-7-15(8-12)11(18)14-9-4-3-5-13(9,2)10(16)17/h9,19H,3-8H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyVICUBHDTEFODIP-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.80
Rot. Bonds2

About 2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid

2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid (PubChem CID 103357296) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
PubChem CID103357296
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(O)CCN(C(=O)NC2CCCC2(C)C(=O)O)C1
InChIInChI=1S/C13H22N2O4/c1-12(19)6-7-15(8-12)11(18)14-9-4-3-5-13(9,2)10(16)17/h9,19H,3-8H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyVICUBHDTEFODIP-UHFFFAOYSA-N
XLogP0.80
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82765389
1-methyl-2-(pyrrolidine-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 83213759
2-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82764153
1-methyl-2-(piperazine-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 82762890
1-methyl-2-(piperidine-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 83214218
2-(azepane-1-carbonylamino)-1-methylcyclohexane-1-carboxylic acid
CID 83213614
1-methyl-2-[(4-propan-2-ylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 103500550
(3S)-3-hydroxy-3-methyl-N-[(4R)-8-oxaspiro[4.5]decan-4-yl]pyrrolidine-1-carboxamide
CID 129344708
2-(1,4-diazepane-1-carbonylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82762966
2-[(2,6-dimethylthiomorpholine-4-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82765853
1-methyl-2-[(3-oxo-1,4-diazepane-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 82765079
2-[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82765070

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid (CID 103357296) is 2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid is CC1(O)CCN(C(=O)NC2CCCC2(C)C(=O)O)C1.
What is the InChIKey of 2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is VICUBHDTEFODIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-12(19)6-7-15(8-12)11(18)14-9-4-3-5-13(9,2)10(16)17/h9,19H,3-8H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid?
2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 0.80, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 103357296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).