(3R,4R)-4-cyclopropyl-1-[1-(2-methylpropyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid

C17H27NO3 — CID 120978017

IUPAC(3R,4R)-4-cyclopropyl-1-[1-(2-methylpropyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)CC1(C(=O)N2C[C@H](C(=O)O)[C@@H](C3CC3)C2)CCC1
InChIInChI=1S/C17H27NO3/c1-11(2)8-17(6-3-7-17)16(21)18-9-13(12-4-5-12)14(10-18)15(19)20/h11-14H,3-10H2,1-2H3,(H,19,20)/t13-,14+/m1/s1
InChIKeyAPACBKREFUPNMZ-KGLIPLIRSA-N
MW293.41 g/mol
LogP2.77
Rot. Bonds5

About (3R,4R)-4-cyclopropyl-1-[1-(2-methylpropyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid

(3R,4R)-4-cyclopropyl-1-[1-(2-methylpropyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 120978017) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is (3R,4R)-4-cyclopropyl-1-[1-(2-methylpropyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-4-cyclopropyl-1-[1-(2-methylpropyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid
PubChem CID120978017
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name(3R,4R)-4-cyclopropyl-1-[1-(2-methylpropyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)CC1(C(=O)N2C[C@H](C(=O)O)[C@@H](C3CC3)C2)CCC1
InChIInChI=1S/C17H27NO3/c1-11(2)8-17(6-3-7-17)16(21)18-9-13(12-4-5-12)14(10-18)15(19)20/h11-14H,3-10H2,1-2H3,(H,19,20)/t13-,14+/m1/s1
InChIKeyAPACBKREFUPNMZ-KGLIPLIRSA-N
XLogP2.77
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-4-cyclopropyl-1-[1-(2-methoxyethyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid
CID 120978313
[4-(ethylaminomethyl)piperidin-1-yl]-[1-(2-methylpropyl)cyclobutyl]methanone
CID 119645218
(3R,4R)-4-cyclopropyl-1-[1-(2,6-difluorophenyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid
CID 122108764
(3R,4R)-1-(2-butylsulfanylpropanoyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120979823
(3R,4R)-1-[2-[(2-cyclohexylacetyl)amino]propanoyl]-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120978984
(3R,4R)-4-cyclopropyl-1-(3-ethyl-4-methylpentanoyl)pyrrolidine-3-carboxylic acid
CID 120979546
[4-(ethylaminomethyl)piperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone
CID 80550886
(3R,4R)-1-(1-benzoyl-3-methylpiperidine-3-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120979794
(3R,4R)-4-cyclopropyl-1-(2-ethylsulfanyl-3-methylbutanoyl)pyrrolidine-3-carboxylic acid
CID 120978673
[3-(1-aminoethyl)piperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone;hydrochloride
CID 119593126
(3R,4R)-4-cyclopropyl-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid
CID 120979900
2-methyl-1-[1-(2-methylpropyl)cyclopentanecarbonyl]piperidine-2-carboxylic acid
CID 104595515

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-cyclopropyl-1-[1-(2-methylpropyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-4-cyclopropyl-1-[1-(2-methylpropyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid (CID 120978017) is (3R,4R)-4-cyclopropyl-1-[1-(2-methylpropyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-4-cyclopropyl-1-[1-(2-methylpropyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-4-cyclopropyl-1-[1-(2-methylpropyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid is CC(C)CC1(C(=O)N2C[C@H](C(=O)O)[C@@H](C3CC3)C2)CCC1.
What is the InChIKey of (3R,4R)-4-cyclopropyl-1-[1-(2-methylpropyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is APACBKREFUPNMZ-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H27NO3/c1-11(2)8-17(6-3-7-17)16(21)18-9-13(12-4-5-12)14(10-18)15(19)20/h11-14H,3-10H2,1-2H3,(H,19,20)/t13-,14+/m1/s1.
What are the key properties of (3R,4R)-4-cyclopropyl-1-[1-(2-methylpropyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid?
(3R,4R)-4-cyclopropyl-1-[1-(2-methylpropyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 293.41 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-cyclopropyl-1-[1-(2-methylpropyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 120978017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).