phenyl (4R)-4-amino-2-azaspiro[4.4]nonane-2-carboxylate

C15H20N2O2 — CID 98007482

IUPACphenyl (4R)-4-amino-2-azaspiro[4.4]nonane-2-carboxylate
SMILESN[C@H]1CN(C(=O)Oc2ccccc2)CC12CCCC2
InChIInChI=1S/C15H20N2O2/c16-13-10-17(11-15(13)8-4-5-9-15)14(18)19-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11,16H2/t13-/m0/s1
InChIKeyOKDAPKXLHRKQEX-ZDUSSCGKSA-N
MW260.34 g/mol
LogP2.39
Rot. Bonds1

About phenyl (4R)-4-amino-2-azaspiro[4.4]nonane-2-carboxylate

phenyl (4R)-4-amino-2-azaspiro[4.4]nonane-2-carboxylate (PubChem CID 98007482) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is phenyl (4R)-4-amino-2-azaspiro[4.4]nonane-2-carboxylate.

Molecular Properties

Compound Namephenyl (4R)-4-amino-2-azaspiro[4.4]nonane-2-carboxylate
PubChem CID98007482
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Namephenyl (4R)-4-amino-2-azaspiro[4.4]nonane-2-carboxylate
SMILESN[C@H]1CN(C(=O)Oc2ccccc2)CC12CCCC2
InChIInChI=1S/C15H20N2O2/c16-13-10-17(11-15(13)8-4-5-9-15)14(18)19-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11,16H2/t13-/m0/s1
InChIKeyOKDAPKXLHRKQEX-ZDUSSCGKSA-N
XLogP2.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (7S)-7-amino-5-azaspiro[2.4]heptane-5-carboxylate
CID 124549706
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phenyl 3-amino-4-methylpyrrolidine-1-carboxylate
CID 103576204
2-phenylmethoxycarbonyl-2-azaspiro[4.5]decane-4-carboxylic acid
CID 12042827
2-(1-phenoxycarbonylazetidin-3-yl)acetic acid
CID 64617419
phenyl (2S,6S)-2,6-dimethylmorpholine-4-carboxylate
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phenyl (2S,6R)-2,6-dimethylmorpholine-4-carboxylate
CID 95358431
(4-phenoxyphenyl) pyrrolidine-1-carboxylate
CID 54080617
benzyl (8S)-8-amino-5-azaspiro[2.5]octane-5-carboxylate
CID 97297451
phenyl 3-(4-aminopiperidin-1-yl)pyrrolidine-1-carboxylate
CID 80552619
phenyl (3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidine-1-carboxylate
CID 11196412
phenyl 1-aminocyclopentane-1-carboxylate
CID 45089706

Frequently Asked Questions

What is the IUPAC name of phenyl (4R)-4-amino-2-azaspiro[4.4]nonane-2-carboxylate?
The IUPAC name of phenyl (4R)-4-amino-2-azaspiro[4.4]nonane-2-carboxylate (CID 98007482) is phenyl (4R)-4-amino-2-azaspiro[4.4]nonane-2-carboxylate.
What is the SMILES notation for phenyl (4R)-4-amino-2-azaspiro[4.4]nonane-2-carboxylate?
The canonical SMILES for phenyl (4R)-4-amino-2-azaspiro[4.4]nonane-2-carboxylate is N[C@H]1CN(C(=O)Oc2ccccc2)CC12CCCC2.
What is the InChIKey of phenyl (4R)-4-amino-2-azaspiro[4.4]nonane-2-carboxylate?
The InChIKey is OKDAPKXLHRKQEX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N2O2/c16-13-10-17(11-15(13)8-4-5-9-15)14(18)19-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11,16H2/t13-/m0/s1.
What are the key properties of phenyl (4R)-4-amino-2-azaspiro[4.4]nonane-2-carboxylate?
phenyl (4R)-4-amino-2-azaspiro[4.4]nonane-2-carboxylate has a molecular weight of 260.34 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (4R)-4-amino-2-azaspiro[4.4]nonane-2-carboxylate is sourced from PubChem (CID 98007482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).