(3R)-3-methyl-3-[[(1S,2R,4S,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]pentanoic acid

C15H23NO3 — CID 98891185

IUPAC(3R)-3-methyl-3-[[(1S,2R,4S,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]pentanoic acid
SMILESCC[C@](C)(CC(=O)O)NC(=O)C1[C@@H]2[C@H]3CC[C@@H](C3)[C@H]12
InChIInChI=1S/C15H23NO3/c1-3-15(2,7-10(17)18)16-14(19)13-11-8-4-5-9(6-8)12(11)13/h8-9,11-13H,3-7H2,1-2H3,(H,16,19)(H,17,18)/t8-,9-,11-,12+,13?,15+/m0/s1
InChIKeyFHRVMSLJOWVMSD-YCXCZAFHSA-N
MW265.35 g/mol
LogP2.04
Rot. Bonds5

About (3R)-3-methyl-3-[[(1S,2R,4S,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]pentanoic acid

(3R)-3-methyl-3-[[(1S,2R,4S,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]pentanoic acid (PubChem CID 98891185) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is (3R)-3-methyl-3-[[(1S,2R,4S,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name(3R)-3-methyl-3-[[(1S,2R,4S,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]pentanoic acid
PubChem CID98891185
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name(3R)-3-methyl-3-[[(1S,2R,4S,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]pentanoic acid
SMILESCC[C@](C)(CC(=O)O)NC(=O)C1[C@@H]2[C@H]3CC[C@@H](C3)[C@H]12
InChIInChI=1S/C15H23NO3/c1-3-15(2,7-10(17)18)16-14(19)13-11-8-4-5-9(6-8)12(11)13/h8-9,11-13H,3-7H2,1-2H3,(H,16,19)(H,17,18)/t8-,9-,11-,12+,13?,15+/m0/s1
InChIKeyFHRVMSLJOWVMSD-YCXCZAFHSA-N
XLogP2.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R)-3-methyl-3-[[(1S,2R,4S,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]pentanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-3-[[(1S,2R,4S,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]pentanoic acid?
The IUPAC name of (3R)-3-methyl-3-[[(1S,2R,4S,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]pentanoic acid (CID 98891185) is (3R)-3-methyl-3-[[(1S,2R,4S,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]pentanoic acid.
What is the SMILES notation for (3R)-3-methyl-3-[[(1S,2R,4S,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]pentanoic acid?
The canonical SMILES for (3R)-3-methyl-3-[[(1S,2R,4S,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]pentanoic acid is CC[C@](C)(CC(=O)O)NC(=O)C1[C@@H]2[C@H]3CC[C@@H](C3)[C@H]12.
What is the InChIKey of (3R)-3-methyl-3-[[(1S,2R,4S,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]pentanoic acid?
The InChIKey is FHRVMSLJOWVMSD-YCXCZAFHSA-N. The full InChI is InChI=1S/C15H23NO3/c1-3-15(2,7-10(17)18)16-14(19)13-11-8-4-5-9(6-8)12(11)13/h8-9,11-13H,3-7H2,1-2H3,(H,16,19)(H,17,18)/t8-,9-,11-,12+,13?,15+/m0/s1.
What are the key properties of (3R)-3-methyl-3-[[(1S,2R,4S,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]pentanoic acid?
(3R)-3-methyl-3-[[(1S,2R,4S,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]pentanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-3-[[(1S,2R,4S,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 98891185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).