3-propan-2-yl-1-(3-pyridin-4-ylpropanoyl)pyrrolidine-3-carboxylic acid

C16H22N2O3 — CID 106982425

IUPAC3-propan-2-yl-1-(3-pyridin-4-ylpropanoyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)C1(C(=O)O)CCN(C(=O)CCc2ccncc2)C1
InChIInChI=1S/C16H22N2O3/c1-12(2)16(15(20)21)7-10-18(11-16)14(19)4-3-13-5-8-17-9-6-13/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3,(H,20,21)
InChIKeyBMOFAYVGVKVJNY-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.97
Rot. Bonds5

About 3-propan-2-yl-1-(3-pyridin-4-ylpropanoyl)pyrrolidine-3-carboxylic acid

3-propan-2-yl-1-(3-pyridin-4-ylpropanoyl)pyrrolidine-3-carboxylic acid (PubChem CID 106982425) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-propan-2-yl-1-(3-pyridin-4-ylpropanoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-propan-2-yl-1-(3-pyridin-4-ylpropanoyl)pyrrolidine-3-carboxylic acid
PubChem CID106982425
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-propan-2-yl-1-(3-pyridin-4-ylpropanoyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)C1(C(=O)O)CCN(C(=O)CCc2ccncc2)C1
InChIInChI=1S/C16H22N2O3/c1-12(2)16(15(20)21)7-10-18(11-16)14(19)4-3-13-5-8-17-9-6-13/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3,(H,20,21)
InChIKeyBMOFAYVGVKVJNY-UHFFFAOYSA-N
XLogP1.97
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-bromophenyl)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982759
4,4-dimethyl-1-(3-pyridin-4-ylpropanoyl)piperidin-3-one
CID 115276831
3-propan-2-yl-1-[2-(triazol-1-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 106982529
1-(4-ethoxybutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982524
3-methyl-1-(2-methylpropyl)-8-(3-pyridin-4-ylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165426641
acetic acid;1-(6-oxa-2,9-diazaspiro[4.5]decan-9-yl)-3-pyridin-4-ylpropan-1-one
CID 154922136
1-[3,3-bis(hydroxymethyl)pyrrolidin-1-yl]-3-(4-propan-2-ylphenyl)propan-1-one
CID 155954520
1-(2-ethylbenzoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982531
3-propan-2-yl-1-[(E)-3-pyridin-3-ylprop-2-enoyl]pyrrolidine-3-carboxylic acid
CID 106982660
1-[2-[3-(difluoromethyl)pyrazol-1-yl]acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 154769913
1-(3,8-dioxa-11-azaspiro[5.6]dodecan-11-yl)-3-pyridin-4-ylpropan-1-one
CID 75503965
1-(3-pyridin-4-ylpropanoyl)piperidin-4-one
CID 82475134

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1-(3-pyridin-4-ylpropanoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-propan-2-yl-1-(3-pyridin-4-ylpropanoyl)pyrrolidine-3-carboxylic acid (CID 106982425) is 3-propan-2-yl-1-(3-pyridin-4-ylpropanoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-propan-2-yl-1-(3-pyridin-4-ylpropanoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-propan-2-yl-1-(3-pyridin-4-ylpropanoyl)pyrrolidine-3-carboxylic acid is CC(C)C1(C(=O)O)CCN(C(=O)CCc2ccncc2)C1.
What is the InChIKey of 3-propan-2-yl-1-(3-pyridin-4-ylpropanoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is BMOFAYVGVKVJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12(2)16(15(20)21)7-10-18(11-16)14(19)4-3-13-5-8-17-9-6-13/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3,(H,20,21).
What are the key properties of 3-propan-2-yl-1-(3-pyridin-4-ylpropanoyl)pyrrolidine-3-carboxylic acid?
3-propan-2-yl-1-(3-pyridin-4-ylpropanoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1-(3-pyridin-4-ylpropanoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106982425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).