tert-butyl (3S)-3-amino-4-naphthalen-2-ylbutanoate

C18H23NO2 — CID 166000692

IUPACtert-butyl (3S)-3-amino-4-naphthalen-2-ylbutanoate
SMILESCC(C)(C)OC(=O)C[C@@H](N)Cc1ccc2ccccc2c1
InChIInChI=1S/C18H23NO2/c1-18(2,3)21-17(20)12-16(19)11-13-8-9-14-6-4-5-7-15(14)10-13/h4-10,16H,11-12,19H2,1-3H3/t16-/m0/s1
InChIKeyWDHWBIPGSUQMIF-INIZCTEOSA-N
MW285.39 g/mol
LogP3.44
Rot. Bonds4

About tert-butyl (3S)-3-amino-4-naphthalen-2-ylbutanoate

tert-butyl (3S)-3-amino-4-naphthalen-2-ylbutanoate (PubChem CID 166000692) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is tert-butyl (3S)-3-amino-4-naphthalen-2-ylbutanoate.

Molecular Properties

Compound Nametert-butyl (3S)-3-amino-4-naphthalen-2-ylbutanoate
PubChem CID166000692
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Nametert-butyl (3S)-3-amino-4-naphthalen-2-ylbutanoate
SMILESCC(C)(C)OC(=O)C[C@@H](N)Cc1ccc2ccccc2c1
InChIInChI=1S/C18H23NO2/c1-18(2,3)21-17(20)12-16(19)11-13-8-9-14-6-4-5-7-15(14)10-13/h4-10,16H,11-12,19H2,1-3H3/t16-/m0/s1
InChIKeyWDHWBIPGSUQMIF-INIZCTEOSA-N
XLogP3.44
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-amino-4-naphthalen-2-ylbutanoic acid
CID 2761622
(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-naphthalen-2-ylbutanoic acid
CID 7021578
2-amino-4,4-dimethyl-1-naphthalen-2-ylpentan-3-one
CID 118082102
tert-butyl 5-naphthalen-2-yl-4-oxopentanoate
CID 58498117
tert-butyl 3-amino-4-[2,2-diethoxyethyl(naphthalen-2-ylmethyl)amino]-4-oxobutanoate
CID 138469527
2-amino-N-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-3-naphthalen-2-ylpropanamide
CID 167079365
tert-butyl N-[(2R)-1-(1-aminoethylideneamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylcarbamate
CID 59047476
chloromethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-ylpropanoate
CID 138986414
chloromethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-ylpropanoate
CID 138986413
tert-butyl 3-amino-4-[4-(4-methylphenyl)sulfonyloxyphenyl]butanoate
CID 87296559
benzyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-ylpropanoate
CID 86751289
(2S)-3-naphthalen-2-ylpropane-1,2-diamine
CID 68655255

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-amino-4-naphthalen-2-ylbutanoate?
The IUPAC name of tert-butyl (3S)-3-amino-4-naphthalen-2-ylbutanoate (CID 166000692) is tert-butyl (3S)-3-amino-4-naphthalen-2-ylbutanoate.
What is the SMILES notation for tert-butyl (3S)-3-amino-4-naphthalen-2-ylbutanoate?
The canonical SMILES for tert-butyl (3S)-3-amino-4-naphthalen-2-ylbutanoate is CC(C)(C)OC(=O)C[C@@H](N)Cc1ccc2ccccc2c1.
What is the InChIKey of tert-butyl (3S)-3-amino-4-naphthalen-2-ylbutanoate?
The InChIKey is WDHWBIPGSUQMIF-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23NO2/c1-18(2,3)21-17(20)12-16(19)11-13-8-9-14-6-4-5-7-15(14)10-13/h4-10,16H,11-12,19H2,1-3H3/t16-/m0/s1.
What are the key properties of tert-butyl (3S)-3-amino-4-naphthalen-2-ylbutanoate?
tert-butyl (3S)-3-amino-4-naphthalen-2-ylbutanoate has a molecular weight of 285.39 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-amino-4-naphthalen-2-ylbutanoate is sourced from PubChem (CID 166000692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).