2-(2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decan-8-yl)acetic acid

C18H24N2O4 — CID 71649736

IUPAC2-(2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decan-8-yl)acetic acid
SMILESO=C(O)CN1CCC2(CC1)CCN(C(=O)OCc1ccccc1)C2
InChIInChI=1S/C18H24N2O4/c21-16(22)12-19-9-6-18(7-10-19)8-11-20(14-18)17(23)24-13-15-4-2-1-3-5-15/h1-5H,6-14H2,(H,21,22)
InChIKeyKNIHVGTUCVIWCR-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.20
Rot. Bonds4

About 2-(2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decan-8-yl)acetic acid

2-(2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decan-8-yl)acetic acid (PubChem CID 71649736) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-(2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decan-8-yl)acetic acid.

Molecular Properties

Compound Name2-(2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decan-8-yl)acetic acid
PubChem CID71649736
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name2-(2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decan-8-yl)acetic acid
SMILESO=C(O)CN1CCC2(CC1)CCN(C(=O)OCc1ccccc1)C2
InChIInChI=1S/C18H24N2O4/c21-16(22)12-19-9-6-18(7-10-19)8-11-20(14-18)17(23)24-13-15-4-2-1-3-5-15/h1-5H,6-14H2,(H,21,22)
InChIKeyKNIHVGTUCVIWCR-UHFFFAOYSA-N
XLogP2.20
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2,8-diazaspiro[4.5]decane-2-carboxylate
CID 66570416
benzyl 8-[(2S)-2-aminopropanoyl]-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 97175447
2-(4-phenylmethoxycarbonyl-1,4-diazepan-1-yl)acetic acid;hydrochloride
CID 170907019
benzyl (3R)-3-fluoro-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 121242240
benzyl 2-methyl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 118883097
benzyl 8-(bromomethyl)-2-azaspiro[4.4]nonane-2-carboxylate
CID 71650616
(3R)-3-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 71814981
benzyl (3R)-1-oxa-6-azaspiro[2.4]heptane-6-carboxylate
CID 97169066
benzyl 3-hydroxy-3-phenylpyrrolidine-1-carboxylate
CID 14127359
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl (2S,3R)-2-amino-5-azaspiro[2.4]heptane-5-carboxylate
CID 97294914
benzyl (3S)-3-amino-3-(fluoromethyl)pyrrolidine-1-carboxylate
CID 124634406

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decan-8-yl)acetic acid?
The IUPAC name of 2-(2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decan-8-yl)acetic acid (CID 71649736) is 2-(2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decan-8-yl)acetic acid.
What is the SMILES notation for 2-(2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decan-8-yl)acetic acid?
The canonical SMILES for 2-(2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decan-8-yl)acetic acid is O=C(O)CN1CCC2(CC1)CCN(C(=O)OCc1ccccc1)C2.
What is the InChIKey of 2-(2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decan-8-yl)acetic acid?
The InChIKey is KNIHVGTUCVIWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c21-16(22)12-19-9-6-18(7-10-19)8-11-20(14-18)17(23)24-13-15-4-2-1-3-5-15/h1-5H,6-14H2,(H,21,22).
What are the key properties of 2-(2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decan-8-yl)acetic acid?
2-(2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decan-8-yl)acetic acid has a molecular weight of 332.40 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decan-8-yl)acetic acid is sourced from PubChem (CID 71649736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).