9-[(1R,3S)-3-aminocyclopentanecarbonyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one

C20H31N5O2 — CID 133131311

IUPAC9-[(1R,3S)-3-aminocyclopentanecarbonyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESN[C@H]1CC[C@@H](C(=O)N2CCC3(CCC(=O)N(CCc4cnc[nH]4)C3)CC2)C1
InChIInChI=1S/C20H31N5O2/c21-16-2-1-15(11-16)19(27)24-9-6-20(7-10-24)5-3-18(26)25(13-20)8-4-17-12-22-14-23-17/h12,14-16H,1-11,13,21H2,(H,22,23)/t15-,16+/m1/s1
InChIKeyYYEFVLZPXFJJRA-CVEARBPZSA-N
MW373.50 g/mol
LogP1.31
Rot. Bonds4

About 9-[(1R,3S)-3-aminocyclopentanecarbonyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one

9-[(1R,3S)-3-aminocyclopentanecarbonyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 133131311) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 9-[(1R,3S)-3-aminocyclopentanecarbonyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[(1R,3S)-3-aminocyclopentanecarbonyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID133131311
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC Name9-[(1R,3S)-3-aminocyclopentanecarbonyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESN[C@H]1CC[C@@H](C(=O)N2CCC3(CCC(=O)N(CCc4cnc[nH]4)C3)CC2)C1
InChIInChI=1S/C20H31N5O2/c21-16-2-1-15(11-16)19(27)24-9-6-20(7-10-24)5-3-18(26)25(13-20)8-4-17-12-22-14-23-17/h12,14-16H,1-11,13,21H2,(H,22,23)/t15-,16+/m1/s1
InChIKeyYYEFVLZPXFJJRA-CVEARBPZSA-N
XLogP1.31
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1H-imidazol-5-yl)ethyl]-9-(oxane-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72921955
(6S)-8-(2-cyclopentylacetyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97113570
2-[2-(1H-imidazol-5-yl)ethyl]-9-[(2S)-4-methyl-2-(methylamino)pentanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72934711
9-(3-hydroxybenzoyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72903406
2-[2-(1H-imidazol-5-yl)ethyl]-9-[2-(2-methylphenyl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72870215
9-(5-ethyl-1,3-oxazole-4-carbonyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72839531
2-[(6S)-2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetic acid
CID 96573844
(6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(pyridine-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96581260
2-[2-(1H-imidazol-5-yl)ethyl]-9-[(2S)-2-phenylpropyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97140921
8-(3-cyclopentylpropyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70763333
9-[(3R)-1-methylpyrrolidine-3-carbonyl]-2-(2-pyridin-4-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97148800
(6S)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97113026

Frequently Asked Questions

What is the IUPAC name of 9-[(1R,3S)-3-aminocyclopentanecarbonyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[(1R,3S)-3-aminocyclopentanecarbonyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 133131311) is 9-[(1R,3S)-3-aminocyclopentanecarbonyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[(1R,3S)-3-aminocyclopentanecarbonyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[(1R,3S)-3-aminocyclopentanecarbonyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one is N[C@H]1CC[C@@H](C(=O)N2CCC3(CCC(=O)N(CCc4cnc[nH]4)C3)CC2)C1.
What is the InChIKey of 9-[(1R,3S)-3-aminocyclopentanecarbonyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is YYEFVLZPXFJJRA-CVEARBPZSA-N. The full InChI is InChI=1S/C20H31N5O2/c21-16-2-1-15(11-16)19(27)24-9-6-20(7-10-24)5-3-18(26)25(13-20)8-4-17-12-22-14-23-17/h12,14-16H,1-11,13,21H2,(H,22,23)/t15-,16+/m1/s1.
What are the key properties of 9-[(1R,3S)-3-aminocyclopentanecarbonyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one?
9-[(1R,3S)-3-aminocyclopentanecarbonyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 373.50 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1R,3S)-3-aminocyclopentanecarbonyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 133131311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).