(3R,4R)-1-(4-cyanooxane-4-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid

C15H20N2O4 — CID 120978573

IUPAC(3R,4R)-1-(4-cyanooxane-4-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
SMILESN#CC1(C(=O)N2C[C@H](C(=O)O)[C@@H](C3CC3)C2)CCOCC1
InChIInChI=1S/C15H20N2O4/c16-9-15(3-5-21-6-4-15)14(20)17-7-11(10-1-2-10)12(8-17)13(18)19/h10-12H,1-8H2,(H,18,19)/t11-,12+/m1/s1
InChIKeyUSWNNGURVFITGD-NEPJUHHUSA-N
MW292.34 g/mol
LogP0.88
Rot. Bonds3

About (3R,4R)-1-(4-cyanooxane-4-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid

(3R,4R)-1-(4-cyanooxane-4-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid (PubChem CID 120978573) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is (3R,4R)-1-(4-cyanooxane-4-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-1-(4-cyanooxane-4-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
PubChem CID120978573
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name(3R,4R)-1-(4-cyanooxane-4-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
SMILESN#CC1(C(=O)N2C[C@H](C(=O)O)[C@@H](C3CC3)C2)CCOCC1
InChIInChI=1S/C15H20N2O4/c16-9-15(3-5-21-6-4-15)14(20)17-7-11(10-1-2-10)12(8-17)13(18)19/h10-12H,1-8H2,(H,18,19)/t11-,12+/m1/s1
InChIKeyUSWNNGURVFITGD-NEPJUHHUSA-N
XLogP0.88
TPSA90.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-azabicyclo[3.2.0]heptane-3-carbonyl)cyclopropane-1-carbonitrile
CID 164651159
(3R,4R)-1-[4-(2-chlorophenyl)oxane-4-carbonyl]-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120978259
4-[3-(difluoromethoxy)azetidine-1-carbonyl]oxane-4-carbonitrile
CID 154735285
4-(3-morpholin-4-ylpyrrolidine-1-carbonyl)oxane-4-carbonitrile
CID 63516325
4-[(3R,4S)-3-[(2-aminopyrimidin-4-yl)amino]-4-cyclopropylpyrrolidine-1-carbonyl]oxane-4-carbonitrile;hydrochloride
CID 154897908
4-(4-cyclopentylpiperazine-1-carbonyl)oxane-4-carbonitrile
CID 62368811
(3aS,7aS)-2-(4-cyanooxane-4-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 120628449
1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)cyclopropane-1-carbonitrile
CID 80592362
4-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl)oxane-4-carbonitrile
CID 82863444
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)cycloheptane-1-carbonitrile
CID 115559859
(3R,4R)-4-cyclopropyl-1-[1-(2-methylpropyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid
CID 120978017
(3R,4R)-1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120979880

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(4-cyanooxane-4-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-1-(4-cyanooxane-4-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid (CID 120978573) is (3R,4R)-1-(4-cyanooxane-4-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-1-(4-cyanooxane-4-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-1-(4-cyanooxane-4-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid is N#CC1(C(=O)N2C[C@H](C(=O)O)[C@@H](C3CC3)C2)CCOCC1.
What is the InChIKey of (3R,4R)-1-(4-cyanooxane-4-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid?
The InChIKey is USWNNGURVFITGD-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H20N2O4/c16-9-15(3-5-21-6-4-15)14(20)17-7-11(10-1-2-10)12(8-17)13(18)19/h10-12H,1-8H2,(H,18,19)/t11-,12+/m1/s1.
What are the key properties of (3R,4R)-1-(4-cyanooxane-4-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid?
(3R,4R)-1-(4-cyanooxane-4-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid has a molecular weight of 292.34 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(4-cyanooxane-4-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 120978573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).