2-[1-(2-cyclopropylpropanoyl)pyrrolidin-3-yl]acetic acid

C12H19NO3 — CID 83147525

IUPAC2-[1-(2-cyclopropylpropanoyl)pyrrolidin-3-yl]acetic acid
SMILESCC(C(=O)N1CCC(CC(=O)O)C1)C1CC1
InChIInChI=1S/C12H19NO3/c1-8(10-2-3-10)12(16)13-5-4-9(7-13)6-11(14)15/h8-10H,2-7H2,1H3,(H,14,15)
InChIKeyNOBKYYKUJRBFDI-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.36
Rot. Bonds4

About 2-[1-(2-cyclopropylpropanoyl)pyrrolidin-3-yl]acetic acid

2-[1-(2-cyclopropylpropanoyl)pyrrolidin-3-yl]acetic acid (PubChem CID 83147525) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[1-(2-cyclopropylpropanoyl)pyrrolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-cyclopropylpropanoyl)pyrrolidin-3-yl]acetic acid
PubChem CID83147525
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-[1-(2-cyclopropylpropanoyl)pyrrolidin-3-yl]acetic acid
SMILESCC(C(=O)N1CCC(CC(=O)O)C1)C1CC1
InChIInChI=1S/C12H19NO3/c1-8(10-2-3-10)12(16)13-5-4-9(7-13)6-11(14)15/h8-10H,2-7H2,1H3,(H,14,15)
InChIKeyNOBKYYKUJRBFDI-UHFFFAOYSA-N
XLogP1.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3R)-3-aminopyrrolidin-1-yl]-2-cyclopropylpropan-1-one
CID 81469316
2-cyclopropyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 81478302
2-[1-(3-amino-2-methylpropanoyl)piperidin-3-yl]acetic acid
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2-(1-prop-1-en-2-ylpyrrolidin-3-yl)acetic acid
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2-[1-(3-methylpentanoyl)pyrrolidin-3-yl]acetic acid
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2-(azetidin-3-yl)-1-(3-ethylpyrrolidin-1-yl)propan-1-one
CID 116678920
2-[1-(4-propan-2-ylpiperidine-1-carbonyl)piperidin-3-yl]acetic acid
CID 103500361
2-[1-[methyl(2-propan-2-yloxyethyl)carbamoyl]pyrrolidin-3-yl]acetic acid
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2-(1-methylpyrrolidin-3-yl)acetic acid
CID 19362950
2-[1-(3,4-dimethylpyrrolidine-1-carbonyl)pyrrolidin-3-yl]acetic acid
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2-[1-(3,4,5-trimethylpiperazine-1-carbonyl)pyrrolidin-3-yl]acetic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-cyclopropylpropanoyl)pyrrolidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(2-cyclopropylpropanoyl)pyrrolidin-3-yl]acetic acid (CID 83147525) is 2-[1-(2-cyclopropylpropanoyl)pyrrolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-cyclopropylpropanoyl)pyrrolidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2-cyclopropylpropanoyl)pyrrolidin-3-yl]acetic acid is CC(C(=O)N1CCC(CC(=O)O)C1)C1CC1.
What is the InChIKey of 2-[1-(2-cyclopropylpropanoyl)pyrrolidin-3-yl]acetic acid?
The InChIKey is NOBKYYKUJRBFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-8(10-2-3-10)12(16)13-5-4-9(7-13)6-11(14)15/h8-10H,2-7H2,1H3,(H,14,15).
What are the key properties of 2-[1-(2-cyclopropylpropanoyl)pyrrolidin-3-yl]acetic acid?
2-[1-(2-cyclopropylpropanoyl)pyrrolidin-3-yl]acetic acid has a molecular weight of 225.29 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-cyclopropylpropanoyl)pyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 83147525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).