benzyl (4R)-4-[[(1R)-1-naphthalen-2-ylethyl]carbamoyl]-2-azaspiro[4.5]decane-2-carboxylate

C30H34N2O3 — CID 12042829

IUPACbenzyl (4R)-4-[[(1R)-1-naphthalen-2-ylethyl]carbamoyl]-2-azaspiro[4.5]decane-2-carboxylate
SMILESC[C@@H](NC(=O)[C@H]1CN(C(=O)OCc2ccccc2)CC12CCCCC2)c1ccc2ccccc2c1
InChIInChI=1S/C30H34N2O3/c1-22(25-15-14-24-12-6-7-13-26(24)18-25)31-28(33)27-19-32(21-30(27)16-8-3-9-17-30)29(34)35-20-23-10-4-2-5-11-23/h2,4-7,10-15,18,22,27H,3,8-9,16-17,19-21H2,1H3,(H,31,33)/t22-,27-/m1/s1
InChIKeyGEUZZQQJQUGFTL-AJTFRIOCSA-N
MW470.61 g/mol
LogP6.24
Rot. Bonds5

About benzyl (4R)-4-[[(1R)-1-naphthalen-2-ylethyl]carbamoyl]-2-azaspiro[4.5]decane-2-carboxylate

benzyl (4R)-4-[[(1R)-1-naphthalen-2-ylethyl]carbamoyl]-2-azaspiro[4.5]decane-2-carboxylate (PubChem CID 12042829) has the molecular formula C30H34N2O3 and a molecular weight of 470.61 g/mol. Its IUPAC name is benzyl (4R)-4-[[(1R)-1-naphthalen-2-ylethyl]carbamoyl]-2-azaspiro[4.5]decane-2-carboxylate.

Molecular Properties

Compound Namebenzyl (4R)-4-[[(1R)-1-naphthalen-2-ylethyl]carbamoyl]-2-azaspiro[4.5]decane-2-carboxylate
PubChem CID12042829
Molecular FormulaC30H34N2O3
Molecular Weight470.61 g/mol
Exact Mass470.26
IUPAC Namebenzyl (4R)-4-[[(1R)-1-naphthalen-2-ylethyl]carbamoyl]-2-azaspiro[4.5]decane-2-carboxylate
SMILESC[C@@H](NC(=O)[C@H]1CN(C(=O)OCc2ccccc2)CC12CCCCC2)c1ccc2ccccc2c1
InChIInChI=1S/C30H34N2O3/c1-22(25-15-14-24-12-6-7-13-26(24)18-25)31-28(33)27-19-32(21-30(27)16-8-3-9-17-30)29(34)35-20-23-10-4-2-5-11-23/h2,4-7,10-15,18,22,27H,3,8-9,16-17,19-21H2,1H3,(H,31,33)/t22-,27-/m1/s1
InChIKeyGEUZZQQJQUGFTL-AJTFRIOCSA-N
XLogP6.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.61
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze benzyl (4R)-4-[[(1R)-1-naphthalen-2-ylethyl]carbamoyl]-2-azaspiro[4.5]decane-2-carboxylate with MolForge

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Related Compounds

2-phenylmethoxycarbonyl-2-azaspiro[4.5]decane-4-carboxylic acid
CID 12042827
(3S)-N-[(1S)-1-naphthalen-2-ylethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 95352112
benzyl (7S)-7-amino-5-azaspiro[2.4]heptane-5-carboxylate
CID 124549706
(4S,5R)-7-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenylmethoxycarbonyl-2,7-diazaspiro[4.4]nonane-4-carboxylic acid
CID 97110966
3-(1-phenylethylamino)-1-phenylmethoxycarbonylazetidine-3-carboxylic acid
CID 132594137
benzyl (3S)-3-methyl-3-(propan-2-ylamino)piperidine-1-carboxylate
CID 97175006
benzyl (8S)-8-amino-5-azaspiro[2.5]octane-5-carboxylate
CID 97297451
benzyl 6-methyl-3,6-diazabicyclo[3.1.0]hexane-3-carboxylate
CID 178029829
2-(cyclopropylmethylamino)-N-(1-naphthalen-2-ylethyl)acetamide;hydrochloride
CID 119685956
1-cyclopentyl-3-[(1R)-1-naphthalen-2-ylethyl]urea
CID 29026952
benzyl (2S,3R)-2-amino-5-azaspiro[2.4]heptane-5-carboxylate
CID 97294914
benzyl (3S,4S)-3-hydroxy-3,4-dimethylpyrrolidine-1-carboxylate
CID 101067345

Frequently Asked Questions

What is the IUPAC name of benzyl (4R)-4-[[(1R)-1-naphthalen-2-ylethyl]carbamoyl]-2-azaspiro[4.5]decane-2-carboxylate?
The IUPAC name of benzyl (4R)-4-[[(1R)-1-naphthalen-2-ylethyl]carbamoyl]-2-azaspiro[4.5]decane-2-carboxylate (CID 12042829) is benzyl (4R)-4-[[(1R)-1-naphthalen-2-ylethyl]carbamoyl]-2-azaspiro[4.5]decane-2-carboxylate.
What is the SMILES notation for benzyl (4R)-4-[[(1R)-1-naphthalen-2-ylethyl]carbamoyl]-2-azaspiro[4.5]decane-2-carboxylate?
The canonical SMILES for benzyl (4R)-4-[[(1R)-1-naphthalen-2-ylethyl]carbamoyl]-2-azaspiro[4.5]decane-2-carboxylate is C[C@@H](NC(=O)[C@H]1CN(C(=O)OCc2ccccc2)CC12CCCCC2)c1ccc2ccccc2c1.
What is the InChIKey of benzyl (4R)-4-[[(1R)-1-naphthalen-2-ylethyl]carbamoyl]-2-azaspiro[4.5]decane-2-carboxylate?
The InChIKey is GEUZZQQJQUGFTL-AJTFRIOCSA-N. The full InChI is InChI=1S/C30H34N2O3/c1-22(25-15-14-24-12-6-7-13-26(24)18-25)31-28(33)27-19-32(21-30(27)16-8-3-9-17-30)29(34)35-20-23-10-4-2-5-11-23/h2,4-7,10-15,18,22,27H,3,8-9,16-17,19-21H2,1H3,(H,31,33)/t22-,27-/m1/s1.
What are the key properties of benzyl (4R)-4-[[(1R)-1-naphthalen-2-ylethyl]carbamoyl]-2-azaspiro[4.5]decane-2-carboxylate?
benzyl (4R)-4-[[(1R)-1-naphthalen-2-ylethyl]carbamoyl]-2-azaspiro[4.5]decane-2-carboxylate has a molecular weight of 470.61 g/mol, XLogP of 6.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (4R)-4-[[(1R)-1-naphthalen-2-ylethyl]carbamoyl]-2-azaspiro[4.5]decane-2-carboxylate is sourced from PubChem (CID 12042829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).