(3R,4R)-1-(adamantane-2-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid

C19H27NO3 — CID 120980155

IUPAC(3R,4R)-1-(adamantane-2-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)C2C3CC4CC(C3)CC2C4)C[C@@H]1C1CC1
InChIInChI=1S/C19H27NO3/c21-18(17-13-4-10-3-11(6-13)7-14(17)5-10)20-8-15(12-1-2-12)16(9-20)19(22)23/h10-17H,1-9H2,(H,22,23)/t10?,11?,13?,14?,15-,16+,17?/m1/s1
InChIKeyRNXAOPRKNDVFEP-IFFXTHFYSA-N
MW317.43 g/mol
LogP2.63
Rot. Bonds3

About (3R,4R)-1-(adamantane-2-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid

(3R,4R)-1-(adamantane-2-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid (PubChem CID 120980155) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is (3R,4R)-1-(adamantane-2-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-1-(adamantane-2-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
PubChem CID120980155
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name(3R,4R)-1-(adamantane-2-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)C2C3CC4CC(C3)CC2C4)C[C@@H]1C1CC1
InChIInChI=1S/C19H27NO3/c21-18(17-13-4-10-3-11(6-13)7-14(17)5-10)20-8-15(12-1-2-12)16(9-20)19(22)23/h10-17H,1-9H2,(H,22,23)/t10?,11?,13?,14?,15-,16+,17?/m1/s1
InChIKeyRNXAOPRKNDVFEP-IFFXTHFYSA-N
XLogP2.63
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R,4R)-1-(adamantane-2-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4S)-4-cyclopropyl-1-[(1S,2R,4R)-6-oxobicyclo[2.2.1]heptane-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 167862782
(3S,4S)-4-cyclopropyl-1-[1-(2-hydroxyethyl)piperidine-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 86283051
(3R,4R)-4-cyclopropyl-1-pentanoylpyrrolidine-3-carboxylic acid
CID 120978564
(3R,4R)-4-cyclopropyl-1-(2,2-dimethylbutanoyl)pyrrolidine-3-carboxylic acid
CID 120979600
2-adamantyl-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 71683274
(3R,4R)-4-cyclopropyl-1-(3-methylsulfanylpropanoyl)pyrrolidine-3-carboxylic acid
CID 120979773
(3S,4S)-4-cyclopropyl-1-(3-methylbut-2-enoyl)pyrrolidine-3-carboxylic acid
CID 72837574
2-[1-(adamantane-2-carbonyl)pyrrolidin-3-yl]acetic acid
CID 81099407
2-adamantyl-(3-chloro-4-methylpiperidin-1-yl)methanone
CID 102961323
(3R,4R)-4-cyclopropyl-1-[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid
CID 120978322
2-adamantyl-(4-chloro-3-methylpiperidin-1-yl)methanone
CID 114683132
2-adamantyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934585

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(adamantane-2-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-1-(adamantane-2-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid (CID 120980155) is (3R,4R)-1-(adamantane-2-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-1-(adamantane-2-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-1-(adamantane-2-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid is O=C(O)[C@H]1CN(C(=O)C2C3CC4CC(C3)CC2C4)C[C@@H]1C1CC1.
What is the InChIKey of (3R,4R)-1-(adamantane-2-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid?
The InChIKey is RNXAOPRKNDVFEP-IFFXTHFYSA-N. The full InChI is InChI=1S/C19H27NO3/c21-18(17-13-4-10-3-11(6-13)7-14(17)5-10)20-8-15(12-1-2-12)16(9-20)19(22)23/h10-17H,1-9H2,(H,22,23)/t10?,11?,13?,14?,15-,16+,17?/m1/s1.
What are the key properties of (3R,4R)-1-(adamantane-2-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid?
(3R,4R)-1-(adamantane-2-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid has a molecular weight of 317.43 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(adamantane-2-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 120980155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).