2-tert-butyl-4-hydroxy-2-[[2-(phenylmethoxycarbonylamino)-7-azaspiro[3.5]nonan-7-yl]methyl]piperidine-1-carboxylic acid

C27H41N3O5 — CID 175911996

IUPAC2-tert-butyl-4-hydroxy-2-[[2-(phenylmethoxycarbonylamino)-7-azaspiro[3.5]nonan-7-yl]methyl]piperidine-1-carboxylic acid
SMILESCC(C)(C)C1(CN2CCC3(CC2)CC(NC(=O)OCc2ccccc2)C3)CC(O)CCN1C(=O)O
InChIInChI=1S/C27H41N3O5/c1-25(2,3)27(17-22(31)9-12-30(27)24(33)34)19-29-13-10-26(11-14-29)15-21(16-26)28-23(32)35-18-20-7-5-4-6-8-20/h4-8,21-22,31H,9-19H2,1-3H3,(H,28,32)(H,33,34)
InChIKeyYVMHHISDKPNCQX-UHFFFAOYSA-N
MW487.64 g/mol
LogP4.08
Rot. Bonds5

About 2-tert-butyl-4-hydroxy-2-[[2-(phenylmethoxycarbonylamino)-7-azaspiro[3.5]nonan-7-yl]methyl]piperidine-1-carboxylic acid

2-tert-butyl-4-hydroxy-2-[[2-(phenylmethoxycarbonylamino)-7-azaspiro[3.5]nonan-7-yl]methyl]piperidine-1-carboxylic acid (PubChem CID 175911996) has the molecular formula C27H41N3O5 and a molecular weight of 487.64 g/mol. Its IUPAC name is 2-tert-butyl-4-hydroxy-2-[[2-(phenylmethoxycarbonylamino)-7-azaspiro[3.5]nonan-7-yl]methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-4-hydroxy-2-[[2-(phenylmethoxycarbonylamino)-7-azaspiro[3.5]nonan-7-yl]methyl]piperidine-1-carboxylic acid
PubChem CID175911996
Molecular FormulaC27H41N3O5
Molecular Weight487.64 g/mol
Exact Mass487.30
IUPAC Name2-tert-butyl-4-hydroxy-2-[[2-(phenylmethoxycarbonylamino)-7-azaspiro[3.5]nonan-7-yl]methyl]piperidine-1-carboxylic acid
SMILESCC(C)(C)C1(CN2CCC3(CC2)CC(NC(=O)OCc2ccccc2)C3)CC(O)CCN1C(=O)O
InChIInChI=1S/C27H41N3O5/c1-25(2,3)27(17-22(31)9-12-30(27)24(33)34)19-29-13-10-26(11-14-29)15-21(16-26)28-23(32)35-18-20-7-5-4-6-8-20/h4-8,21-22,31H,9-19H2,1-3H3,(H,28,32)(H,33,34)
InChIKeyYVMHHISDKPNCQX-UHFFFAOYSA-N
XLogP4.08
TPSA102.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.64
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-tert-butyl-4-hydroxy-2-[[2-(phenylmethoxycarbonylamino)-7-azaspiro[3.5]nonan-7-yl]methyl]piperidine-1-carboxylic acid with MolForge

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Related Compounds

benzyl N-[7-[(4-hydroxypiperidin-4-yl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate
CID 167463483
cyclopentyl N-(7-benzyl-7-azaspiro[3.5]nonan-2-yl)carbamate
CID 155875097
benzyl N-[7-[[1-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate
CID 167463597
benzyl N-(4-amino-4-methylcyclohexyl)carbamate
CID 168763188
benzyl N-(2-aminospiro[2.5]octan-6-yl)carbamate
CID 130138434
benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride
CID 141061173
benzyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate;benzyl N-[(1R,3S)-3-hydroxycyclopentyl]carbamate
CID 138958096
2-[4-(phenylmethoxycarbonylamino)piperidin-1-yl]acetic acid
CID 66566868
benzyl N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate;hydrochloride
CID 153383254
benzyl N-[(3S)-1-(2-hydroxyethyl)pyrrolidin-3-yl]carbamate
CID 66566464
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-3-yl]carbamate
CID 134454025

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-hydroxy-2-[[2-(phenylmethoxycarbonylamino)-7-azaspiro[3.5]nonan-7-yl]methyl]piperidine-1-carboxylic acid?
The IUPAC name of 2-tert-butyl-4-hydroxy-2-[[2-(phenylmethoxycarbonylamino)-7-azaspiro[3.5]nonan-7-yl]methyl]piperidine-1-carboxylic acid (CID 175911996) is 2-tert-butyl-4-hydroxy-2-[[2-(phenylmethoxycarbonylamino)-7-azaspiro[3.5]nonan-7-yl]methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-4-hydroxy-2-[[2-(phenylmethoxycarbonylamino)-7-azaspiro[3.5]nonan-7-yl]methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 2-tert-butyl-4-hydroxy-2-[[2-(phenylmethoxycarbonylamino)-7-azaspiro[3.5]nonan-7-yl]methyl]piperidine-1-carboxylic acid is CC(C)(C)C1(CN2CCC3(CC2)CC(NC(=O)OCc2ccccc2)C3)CC(O)CCN1C(=O)O.
What is the InChIKey of 2-tert-butyl-4-hydroxy-2-[[2-(phenylmethoxycarbonylamino)-7-azaspiro[3.5]nonan-7-yl]methyl]piperidine-1-carboxylic acid?
The InChIKey is YVMHHISDKPNCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41N3O5/c1-25(2,3)27(17-22(31)9-12-30(27)24(33)34)19-29-13-10-26(11-14-29)15-21(16-26)28-23(32)35-18-20-7-5-4-6-8-20/h4-8,21-22,31H,9-19H2,1-3H3,(H,28,32)(H,33,34).
What are the key properties of 2-tert-butyl-4-hydroxy-2-[[2-(phenylmethoxycarbonylamino)-7-azaspiro[3.5]nonan-7-yl]methyl]piperidine-1-carboxylic acid?
2-tert-butyl-4-hydroxy-2-[[2-(phenylmethoxycarbonylamino)-7-azaspiro[3.5]nonan-7-yl]methyl]piperidine-1-carboxylic acid has a molecular weight of 487.64 g/mol, XLogP of 4.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-hydroxy-2-[[2-(phenylmethoxycarbonylamino)-7-azaspiro[3.5]nonan-7-yl]methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 175911996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).