(3R)-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C17H22N2O4 — CID 155904367

IUPAC(3R)-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)[C@H]1CC2(CCNCC2)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C17H22N2O4/c20-15(21)14-10-17(6-8-18-9-7-17)12-19(14)16(22)23-11-13-4-2-1-3-5-13/h1-5,14,18H,6-12H2,(H,20,21)/t14-/m1/s1
InChIKeyMSYSBTINOGSNPG-CQSZACIVSA-N
MW318.37 g/mol
LogP1.85
Rot. Bonds3

About (3R)-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

(3R)-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 155904367) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is (3R)-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID155904367
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name(3R)-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)[C@H]1CC2(CCNCC2)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C17H22N2O4/c20-15(21)14-10-17(6-8-18-9-7-17)12-19(14)16(22)23-11-13-4-2-1-3-5-13/h1-5,14,18H,6-12H2,(H,20,21)/t14-/m1/s1
InChIKeyMSYSBTINOGSNPG-CQSZACIVSA-N
XLogP1.85
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-4-hydroxy-4-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 12941212
benzyl 2,8-diazaspiro[4.5]decane-2-carboxylate
CID 66570416
(3S)-2-[3-(4-fluorophenyl)propanoyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95717512
(2S)-4-hydroxy-4-(1-phenylethyl)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 70543546
benzyl 4-(7-azaspiro[3.5]nonan-2-ylmethyl)piperazine-1-carboxylate
CID 165136917
2-N-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-2,3-dicarboxamide
CID 67104250
(2S)-4-hydroxy-4-naphthalen-2-yl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 22817592
(3S)-2-[2-(2-methylphenyl)sulfanylacetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95712023
benzyl (2S)-2-carbamoyl-4,4-difluoropyrrolidine-1-carboxylate
CID 58786847
benzyl (6S)-6-[(2-amino-4-bromophenyl)carbamoyl]-5-azaspiro[2.4]heptane-5-carboxylate
CID 59610733
1-O-benzyl 2-O-methyl (2R)-4,4-difluoropyrrolidine-1,2-dicarboxylate
CID 95180475
1-O-benzyl 2-O-methyl 4,4-difluoropyrrolidine-1,2-dicarboxylate
CID 21054036

Frequently Asked Questions

What is the IUPAC name of (3R)-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of (3R)-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 155904367) is (3R)-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for (3R)-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for (3R)-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is O=C(O)[C@H]1CC2(CCNCC2)CN1C(=O)OCc1ccccc1.
What is the InChIKey of (3R)-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is MSYSBTINOGSNPG-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N2O4/c20-15(21)14-10-17(6-8-18-9-7-17)12-19(14)16(22)23-11-13-4-2-1-3-5-13/h1-5,14,18H,6-12H2,(H,20,21)/t14-/m1/s1.
What are the key properties of (3R)-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
(3R)-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 318.37 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 155904367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).