methyl (4S)-4-amino-4-naphthalen-1-ylbutanoate

C15H17NO2 — CID 7145124

IUPACmethyl (4S)-4-amino-4-naphthalen-1-ylbutanoate
SMILESCOC(=O)CC[C@H](N)c1cccc2ccccc12
InChIInChI=1S/C15H17NO2/c1-18-15(17)10-9-14(16)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,14H,9-10,16H2,1H3/t14-/m0/s1
InChIKeyASROVWQFDBBOLR-AWEZNQCLSA-N
MW243.31 g/mol
LogP2.79
Rot. Bonds4

About methyl (4S)-4-amino-4-naphthalen-1-ylbutanoate

methyl (4S)-4-amino-4-naphthalen-1-ylbutanoate (PubChem CID 7145124) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is methyl (4S)-4-amino-4-naphthalen-1-ylbutanoate.

Molecular Properties

Compound Namemethyl (4S)-4-amino-4-naphthalen-1-ylbutanoate
PubChem CID7145124
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Namemethyl (4S)-4-amino-4-naphthalen-1-ylbutanoate
SMILESCOC(=O)CC[C@H](N)c1cccc2ccccc12
InChIInChI=1S/C15H17NO2/c1-18-15(17)10-9-14(16)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,14H,9-10,16H2,1H3/t14-/m0/s1
InChIKeyASROVWQFDBBOLR-AWEZNQCLSA-N
XLogP2.79
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-amino-2-naphthalen-1-ylacetate;hydrochloride
CID 171212058
propyl 3-amino-3-naphthalen-1-ylpropanoate
CID 23109941
[(1R)-2-methoxy-1-naphthalen-1-yl-2-oxoethyl]azanium
CID 7315729
1-O-methyl 4-O-naphthalen-1-yl butanedioate
CID 6611153
2-methoxy-1-naphthalen-1-ylethanamine
CID 16790923
4-methylsulfonyl-1-naphthalen-1-ylbutan-1-amine
CID 63192592
methyl 3-hydroperoxy-3-naphthalen-1-ylpropanoate
CID 89115369
4-methoxy-4-methyl-1-naphthalen-1-ylpentan-1-amine
CID 103031528
(2-amino-2-naphthalen-1-ylethyl)carbamic acid
CID 150721997
methyl 4-amino-4-(4-ethoxyphenyl)butanoate
CID 60862003
methyl 3-amino-3-isoquinolin-4-ylpropanoate
CID 104504325
ethyl 5-hydroxy-4-naphthalen-1-ylhexanoate
CID 174829353

Frequently Asked Questions

What is the IUPAC name of methyl (4S)-4-amino-4-naphthalen-1-ylbutanoate?
The IUPAC name of methyl (4S)-4-amino-4-naphthalen-1-ylbutanoate (CID 7145124) is methyl (4S)-4-amino-4-naphthalen-1-ylbutanoate.
What is the SMILES notation for methyl (4S)-4-amino-4-naphthalen-1-ylbutanoate?
The canonical SMILES for methyl (4S)-4-amino-4-naphthalen-1-ylbutanoate is COC(=O)CC[C@H](N)c1cccc2ccccc12.
What is the InChIKey of methyl (4S)-4-amino-4-naphthalen-1-ylbutanoate?
The InChIKey is ASROVWQFDBBOLR-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H17NO2/c1-18-15(17)10-9-14(16)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,14H,9-10,16H2,1H3/t14-/m0/s1.
What are the key properties of methyl (4S)-4-amino-4-naphthalen-1-ylbutanoate?
methyl (4S)-4-amino-4-naphthalen-1-ylbutanoate has a molecular weight of 243.31 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-4-amino-4-naphthalen-1-ylbutanoate is sourced from PubChem (CID 7145124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).