(1S,5R)-3-[(3S)-1-(2-methoxyethyl)piperidine-3-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid

C15H24N2O4 — CID 126423113

IUPAC(1S,5R)-3-[(3S)-1-(2-methoxyethyl)piperidine-3-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
SMILESCOCCN1CCC[C@H](C(=O)N2C[C@@H]3C(C(=O)O)[C@@H]3C2)C1
InChIInChI=1S/C15H24N2O4/c1-21-6-5-16-4-2-3-10(7-16)14(18)17-8-11-12(9-17)13(11)15(19)20/h10-13H,2-9H2,1H3,(H,19,20)/t10-,11-,12+,13?/m0/s1
InChIKeyMTYZFWULYPHTDD-ACJTYDJDSA-N
MW296.37 g/mol
LogP0.13
Rot. Bonds5

About (1S,5R)-3-[(3S)-1-(2-methoxyethyl)piperidine-3-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid

(1S,5R)-3-[(3S)-1-(2-methoxyethyl)piperidine-3-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid (PubChem CID 126423113) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is (1S,5R)-3-[(3S)-1-(2-methoxyethyl)piperidine-3-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid.

Molecular Properties

Compound Name(1S,5R)-3-[(3S)-1-(2-methoxyethyl)piperidine-3-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
PubChem CID126423113
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name(1S,5R)-3-[(3S)-1-(2-methoxyethyl)piperidine-3-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
SMILESCOCCN1CCC[C@H](C(=O)N2C[C@@H]3C(C(=O)O)[C@@H]3C2)C1
InChIInChI=1S/C15H24N2O4/c1-21-6-5-16-4-2-3-10(7-16)14(18)17-8-11-12(9-17)13(11)15(19)20/h10-13H,2-9H2,1H3,(H,19,20)/t10-,11-,12+,13?/m0/s1
InChIKeyMTYZFWULYPHTDD-ACJTYDJDSA-N
XLogP0.13
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S,5R)-3-[(3S)-1-(2-methoxyethyl)piperidine-3-carbonyl]-3-azabicyclo[3.1.0]hexane-6-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)-1-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 27440266
methyl 1-(2-methoxyethyl)piperidine-3-carboxylate
CID 78920456
1-[1-(2-methoxyethyl)piperidin-3-yl]ethanone
CID 63845115
1-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide
CID 143767660
methyl 1-[2-(2-methoxyethoxy)ethyl]piperidine-3-carboxylate
CID 79884507
[(3aR,7aS)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone
CID 95121753
2-[4-[1-(2-methoxyethyl)piperidine-3-carbonyl]piperazin-1-yl]benzonitrile
CID 74250243
3-azabicyclo[3.3.1]nonan-3-yl-[1-(2-methoxyethyl)piperidin-4-yl]methanone
CID 171153397
1-(2-propoxyethyl)piperidine-3-carboxylic acid
CID 106454575
1-[2-(2-methoxyethoxy)ethyl]-N,N-dimethylpiperidine-3-carboxamide
CID 75424732
1-(methoxymethyl)piperidine-3-carboxylic acid
CID 67043579
3-chloro-1-(2-methoxyethyl)piperidine
CID 63386779

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-[(3S)-1-(2-methoxyethyl)piperidine-3-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid?
The IUPAC name of (1S,5R)-3-[(3S)-1-(2-methoxyethyl)piperidine-3-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid (CID 126423113) is (1S,5R)-3-[(3S)-1-(2-methoxyethyl)piperidine-3-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid.
What is the SMILES notation for (1S,5R)-3-[(3S)-1-(2-methoxyethyl)piperidine-3-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid?
The canonical SMILES for (1S,5R)-3-[(3S)-1-(2-methoxyethyl)piperidine-3-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid is COCCN1CCC[C@H](C(=O)N2C[C@@H]3C(C(=O)O)[C@@H]3C2)C1.
What is the InChIKey of (1S,5R)-3-[(3S)-1-(2-methoxyethyl)piperidine-3-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid?
The InChIKey is MTYZFWULYPHTDD-ACJTYDJDSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-21-6-5-16-4-2-3-10(7-16)14(18)17-8-11-12(9-17)13(11)15(19)20/h10-13H,2-9H2,1H3,(H,19,20)/t10-,11-,12+,13?/m0/s1.
What are the key properties of (1S,5R)-3-[(3S)-1-(2-methoxyethyl)piperidine-3-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid?
(1S,5R)-3-[(3S)-1-(2-methoxyethyl)piperidine-3-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-[(3S)-1-(2-methoxyethyl)piperidine-3-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid is sourced from PubChem (CID 126423113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).