methyl (3S)-3-amino-3-(2-methoxynaphthalen-1-yl)propanoate

C15H17NO3 — CID 61150374

IUPACmethyl (3S)-3-amino-3-(2-methoxynaphthalen-1-yl)propanoate
SMILESCOC(=O)C[C@H](N)c1c(OC)ccc2ccccc12
InChIInChI=1S/C15H17NO3/c1-18-13-8-7-10-5-3-4-6-11(10)15(13)12(16)9-14(17)19-2/h3-8,12H,9,16H2,1-2H3/t12-/m0/s1
InChIKeyPTZQNDQLPQTMOF-LBPRGKRZSA-N
MW259.31 g/mol
LogP2.41
Rot. Bonds4

About methyl (3S)-3-amino-3-(2-methoxynaphthalen-1-yl)propanoate

methyl (3S)-3-amino-3-(2-methoxynaphthalen-1-yl)propanoate (PubChem CID 61150374) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is methyl (3S)-3-amino-3-(2-methoxynaphthalen-1-yl)propanoate.

Molecular Properties

Compound Namemethyl (3S)-3-amino-3-(2-methoxynaphthalen-1-yl)propanoate
PubChem CID61150374
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Namemethyl (3S)-3-amino-3-(2-methoxynaphthalen-1-yl)propanoate
SMILESCOC(=O)C[C@H](N)c1c(OC)ccc2ccccc12
InChIInChI=1S/C15H17NO3/c1-18-13-8-7-10-5-3-4-6-11(10)15(13)12(16)9-14(17)19-2/h3-8,12H,9,16H2,1-2H3/t12-/m0/s1
InChIKeyPTZQNDQLPQTMOF-LBPRGKRZSA-N
XLogP2.41
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-3-(2-methoxynaphthalen-1-yl)propanoic acid
CID 16642007
(1S)-1-(2-methoxynaphthalen-1-yl)-3-methylbut-3-en-1-amine
CID 171232576
methyl 3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride
CID 2945069
methyl (3S)-3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride
CID 171245129
methyl 2-chloro-2-(2-methoxynaphthalen-1-yl)acetate
CID 62224921
(1S)-1-(2-methoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride
CID 171232538
methyl (3R)-3-amino-3-(2-fluoro-6-methoxyphenyl)propanoate
CID 171249964
3-amino-2-(2-methoxynaphthalen-1-yl)propanoic acid
CID 117364728
(3R)-3-amino-3-(2-methoxynaphthalen-1-yl)propanenitrile;hydrochloride
CID 171260616
(1R)-3,3,3-trifluoro-1-(2-methoxynaphthalen-1-yl)propan-1-amine;hydrochloride
CID 171212938
(1R)-4,4,4-trifluoro-1-(2-methoxynaphthalen-1-yl)butan-1-amine
CID 171212939
(3R)-3-acetamido-3-(2-methoxynaphthalen-1-yl)propanoic acid
CID 63649897

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-amino-3-(2-methoxynaphthalen-1-yl)propanoate?
The IUPAC name of methyl (3S)-3-amino-3-(2-methoxynaphthalen-1-yl)propanoate (CID 61150374) is methyl (3S)-3-amino-3-(2-methoxynaphthalen-1-yl)propanoate.
What is the SMILES notation for methyl (3S)-3-amino-3-(2-methoxynaphthalen-1-yl)propanoate?
The canonical SMILES for methyl (3S)-3-amino-3-(2-methoxynaphthalen-1-yl)propanoate is COC(=O)C[C@H](N)c1c(OC)ccc2ccccc12.
What is the InChIKey of methyl (3S)-3-amino-3-(2-methoxynaphthalen-1-yl)propanoate?
The InChIKey is PTZQNDQLPQTMOF-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17NO3/c1-18-13-8-7-10-5-3-4-6-11(10)15(13)12(16)9-14(17)19-2/h3-8,12H,9,16H2,1-2H3/t12-/m0/s1.
What are the key properties of methyl (3S)-3-amino-3-(2-methoxynaphthalen-1-yl)propanoate?
methyl (3S)-3-amino-3-(2-methoxynaphthalen-1-yl)propanoate has a molecular weight of 259.31 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-amino-3-(2-methoxynaphthalen-1-yl)propanoate is sourced from PubChem (CID 61150374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).