(4R)-8-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C16H21N3O5 — CID 97189603

IUPAC(4R)-8-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESO=C(CN1CCC2(CC1)NC(=O)C[C@H]2C(=O)O)NCc1ccco1
InChIInChI=1S/C16H21N3O5/c20-13-8-12(15(22)23)16(18-13)3-5-19(6-4-16)10-14(21)17-9-11-2-1-7-24-11/h1-2,7,12H,3-6,8-10H2,(H,17,21)(H,18,20)(H,22,23)/t12-/m0/s1
InChIKeyUKSNWVRVIVAMNJ-LBPRGKRZSA-N
MW335.36 g/mol
LogP-0.05
Rot. Bonds5

About (4R)-8-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

(4R)-8-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 97189603) has the molecular formula C16H21N3O5 and a molecular weight of 335.36 g/mol. Its IUPAC name is (4R)-8-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-8-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID97189603
Molecular FormulaC16H21N3O5
Molecular Weight335.36 g/mol
Exact Mass335.15
IUPAC Name(4R)-8-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESO=C(CN1CCC2(CC1)NC(=O)C[C@H]2C(=O)O)NCc1ccco1
InChIInChI=1S/C16H21N3O5/c20-13-8-12(15(22)23)16(18-13)3-5-19(6-4-16)10-14(21)17-9-11-2-1-7-24-11/h1-2,7,12H,3-6,8-10H2,(H,17,21)(H,18,20)(H,22,23)/t12-/m0/s1
InChIKeyUKSNWVRVIVAMNJ-LBPRGKRZSA-N
XLogP-0.05
TPSA111.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dihydroxypyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 106672810
2-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64618280
N-(furan-2-ylmethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 9102139
2-(1,4-diazepan-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 43162513
2-(4-benzylpiperidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 6468198
1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984175
N-(furan-2-ylmethyl)-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide
CID 63257535
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 51094831
2-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 34241212
2-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 17034773
N-(furan-2-ylmethyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773300
2-(4-ethoxypiperidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 52728905

Frequently Asked Questions

What is the IUPAC name of (4R)-8-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of (4R)-8-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 97189603) is (4R)-8-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for (4R)-8-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for (4R)-8-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is O=C(CN1CCC2(CC1)NC(=O)C[C@H]2C(=O)O)NCc1ccco1.
What is the InChIKey of (4R)-8-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is UKSNWVRVIVAMNJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21N3O5/c20-13-8-12(15(22)23)16(18-13)3-5-19(6-4-16)10-14(21)17-9-11-2-1-7-24-11/h1-2,7,12H,3-6,8-10H2,(H,17,21)(H,18,20)(H,22,23)/t12-/m0/s1.
What are the key properties of (4R)-8-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
(4R)-8-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 335.36 g/mol, XLogP of -0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 97189603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).