methyl (2R)-2-pyridin-3-yl-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]acetate

C20H24N2O2 — CID 124588523

IUPACmethyl (2R)-2-pyridin-3-yl-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]acetate
SMILESCOC(=O)[C@H](N[C@@H](C)c1ccc2c(c1)CCCC2)c1cccnc1
InChIInChI=1S/C20H24N2O2/c1-14(16-10-9-15-6-3-4-7-17(15)12-16)22-19(20(23)24-2)18-8-5-11-21-13-18/h5,8-14,19,22H,3-4,6-7H2,1-2H3/t14-,19+/m0/s1
InChIKeyVFSAOFONXCAAQQ-IFXJQAMLSA-N
MW324.42 g/mol
LogP3.53
Rot. Bonds5

About methyl (2R)-2-pyridin-3-yl-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]acetate

methyl (2R)-2-pyridin-3-yl-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]acetate (PubChem CID 124588523) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is methyl (2R)-2-pyridin-3-yl-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-pyridin-3-yl-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]acetate
PubChem CID124588523
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Namemethyl (2R)-2-pyridin-3-yl-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]acetate
SMILESCOC(=O)[C@H](N[C@@H](C)c1ccc2c(c1)CCCC2)c1cccnc1
InChIInChI=1S/C20H24N2O2/c1-14(16-10-9-15-6-3-4-7-17(15)12-16)22-19(20(23)24-2)18-8-5-11-21-13-18/h5,8-14,19,22H,3-4,6-7H2,1-2H3/t14-,19+/m0/s1
InChIKeyVFSAOFONXCAAQQ-IFXJQAMLSA-N
XLogP3.53
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-2-pyridin-3-yl-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]acetate with MolForge

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Related Compounds

N-[(1S)-1-pyridin-3-ylethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 81338107
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]pyridin-3-amine
CID 43200742
methyl 2-methyl-3-[[(1R)-1-pyridin-3-ylethyl]amino]butanoate
CID 81404347
methyl 2-acetamido-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 116860571
methyl 2-(cyclopropylamino)-2-pyridin-3-ylacetate
CID 60795276
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanoic acid
CID 54959578
4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 9118329
methyl 2-[[(1R)-1-pyridin-3-ylethyl]amino]butanoate
CID 115353559
3,5-dimethoxy-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 28549066
3-methoxy-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 2201463
methyl (2S)-2-hydroxy-2-pyridin-3-ylacetate;hydrochloride
CID 146049161
(2S)-N-carbamoyl-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propanamide
CID 8859207

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-pyridin-3-yl-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]acetate?
The IUPAC name of methyl (2R)-2-pyridin-3-yl-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]acetate (CID 124588523) is methyl (2R)-2-pyridin-3-yl-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]acetate.
What is the SMILES notation for methyl (2R)-2-pyridin-3-yl-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]acetate?
The canonical SMILES for methyl (2R)-2-pyridin-3-yl-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]acetate is COC(=O)[C@H](N[C@@H](C)c1ccc2c(c1)CCCC2)c1cccnc1.
What is the InChIKey of methyl (2R)-2-pyridin-3-yl-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]acetate?
The InChIKey is VFSAOFONXCAAQQ-IFXJQAMLSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-14(16-10-9-15-6-3-4-7-17(15)12-16)22-19(20(23)24-2)18-8-5-11-21-13-18/h5,8-14,19,22H,3-4,6-7H2,1-2H3/t14-,19+/m0/s1.
What are the key properties of methyl (2R)-2-pyridin-3-yl-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]acetate?
methyl (2R)-2-pyridin-3-yl-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]acetate has a molecular weight of 324.42 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-pyridin-3-yl-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]acetate is sourced from PubChem (CID 124588523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).