2-[1-(2-cyclopropylpropan-2-ylcarbamoyl)pyrrolidin-2-yl]acetic acid

C13H22N2O3 — CID 114111582

IUPAC2-[1-(2-cyclopropylpropan-2-ylcarbamoyl)pyrrolidin-2-yl]acetic acid
SMILESCC(C)(NC(=O)N1CCCC1CC(=O)O)C1CC1
InChIInChI=1S/C13H22N2O3/c1-13(2,9-5-6-9)14-12(18)15-7-3-4-10(15)8-11(16)17/h9-10H,3-8H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyWOELMRVLLZLDSI-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.82
Rot. Bonds4

About 2-[1-(2-cyclopropylpropan-2-ylcarbamoyl)pyrrolidin-2-yl]acetic acid

2-[1-(2-cyclopropylpropan-2-ylcarbamoyl)pyrrolidin-2-yl]acetic acid (PubChem CID 114111582) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[1-(2-cyclopropylpropan-2-ylcarbamoyl)pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-cyclopropylpropan-2-ylcarbamoyl)pyrrolidin-2-yl]acetic acid
PubChem CID114111582
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-[1-(2-cyclopropylpropan-2-ylcarbamoyl)pyrrolidin-2-yl]acetic acid
SMILESCC(C)(NC(=O)N1CCCC1CC(=O)O)C1CC1
InChIInChI=1S/C13H22N2O3/c1-13(2,9-5-6-9)14-12(18)15-7-3-4-10(15)8-11(16)17/h9-10H,3-8H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyWOELMRVLLZLDSI-UHFFFAOYSA-N
XLogP1.82
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(tert-butylcarbamoyl)piperidin-2-yl]acetic acid
CID 61010694
2-[1-[(2-methoxy-2-oxoethyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61371746
2-[1-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]piperidin-2-yl]acetic acid
CID 115356753
2-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 114137800
2-[1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 79350157
2-[1-[3-(methylamino)propylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 61404883
2-[1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 83114337
2-[1-(2-cyclohexylethylcarbamoyl)piperidin-2-yl]acetic acid
CID 61206283
2-[1-(prop-2-enylcarbamoyl)pyrrolidin-2-yl]acetic acid
CID 61372720
2-[1-[(2R)-2-amino-3,3-dimethylbutanoyl]pyrrolidin-2-yl]acetic acid
CID 103929702
2-[1-(cyclobutylmethylcarbamoyl)piperidin-2-yl]acetic acid
CID 61197423
2-[1-[(2-methyloxolan-3-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 114106684

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-cyclopropylpropan-2-ylcarbamoyl)pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(2-cyclopropylpropan-2-ylcarbamoyl)pyrrolidin-2-yl]acetic acid (CID 114111582) is 2-[1-(2-cyclopropylpropan-2-ylcarbamoyl)pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-cyclopropylpropan-2-ylcarbamoyl)pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(2-cyclopropylpropan-2-ylcarbamoyl)pyrrolidin-2-yl]acetic acid is CC(C)(NC(=O)N1CCCC1CC(=O)O)C1CC1.
What is the InChIKey of 2-[1-(2-cyclopropylpropan-2-ylcarbamoyl)pyrrolidin-2-yl]acetic acid?
The InChIKey is WOELMRVLLZLDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-13(2,9-5-6-9)14-12(18)15-7-3-4-10(15)8-11(16)17/h9-10H,3-8H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 2-[1-(2-cyclopropylpropan-2-ylcarbamoyl)pyrrolidin-2-yl]acetic acid?
2-[1-(2-cyclopropylpropan-2-ylcarbamoyl)pyrrolidin-2-yl]acetic acid has a molecular weight of 254.33 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-cyclopropylpropan-2-ylcarbamoyl)pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 114111582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).