(2R)-2-[9-(cyclopentylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid

C18H30N2O3 — CID 97147878

IUPAC(2R)-2-[9-(cyclopentylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid
SMILESC[C@H](C(=O)O)N1CC2(CCC1=O)CCN(CC1CCCC1)CC2
InChIInChI=1S/C18H30N2O3/c1-14(17(22)23)20-13-18(7-6-16(20)21)8-10-19(11-9-18)12-15-4-2-3-5-15/h14-15H,2-13H2,1H3,(H,22,23)/t14-/m1/s1
InChIKeyXCUBPULBDICUPI-CQSZACIVSA-N
MW322.45 g/mol
LogP2.35
Rot. Bonds4

About (2R)-2-[9-(cyclopentylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid

(2R)-2-[9-(cyclopentylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid (PubChem CID 97147878) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is (2R)-2-[9-(cyclopentylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[9-(cyclopentylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid
PubChem CID97147878
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name(2R)-2-[9-(cyclopentylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid
SMILESC[C@H](C(=O)O)N1CC2(CCC1=O)CCN(CC1CCCC1)CC2
InChIInChI=1S/C18H30N2O3/c1-14(17(22)23)20-13-18(7-6-16(20)21)8-10-19(11-9-18)12-15-4-2-3-5-15/h14-15H,2-13H2,1H3,(H,22,23)/t14-/m1/s1
InChIKeyXCUBPULBDICUPI-CQSZACIVSA-N
XLogP2.35
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[3-oxo-9-(2-pyrrolidin-1-ylacetyl)-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid
CID 97150258
2-[3-oxo-9-(2-pyrrolidin-1-ylacetyl)-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid
CID 72926901
2-[9-[(2-ethylphenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid
CID 70718478
2-[9-[(4-cyanophenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid
CID 72926826
(2S)-2-[3-oxo-9-[(5-propylfuran-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid
CID 97147000
(2S)-2-[3-oxo-9-(2-phenylacetyl)-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid
CID 97134904
(2R)-2-[9-(1-methylpyrazole-4-carbonyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid
CID 97138499
(2R)-2-[9-(5-methylthiophene-3-carbonyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid
CID 97151972
(2S)-2-[9-(3-methoxybenzoyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid
CID 97124570
(2R)-2-[9-(3,4-difluorobenzoyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid
CID 97129822
(2R)-2-[9-(3-hydroxy-2-methylbenzoyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid
CID 97117922
2-(2-oxoazepan-1-yl)propanoic acid
CID 23005468

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[9-(cyclopentylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid?
The IUPAC name of (2R)-2-[9-(cyclopentylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid (CID 97147878) is (2R)-2-[9-(cyclopentylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid.
What is the SMILES notation for (2R)-2-[9-(cyclopentylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid?
The canonical SMILES for (2R)-2-[9-(cyclopentylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid is C[C@H](C(=O)O)N1CC2(CCC1=O)CCN(CC1CCCC1)CC2.
What is the InChIKey of (2R)-2-[9-(cyclopentylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid?
The InChIKey is XCUBPULBDICUPI-CQSZACIVSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-14(17(22)23)20-13-18(7-6-16(20)21)8-10-19(11-9-18)12-15-4-2-3-5-15/h14-15H,2-13H2,1H3,(H,22,23)/t14-/m1/s1.
What are the key properties of (2R)-2-[9-(cyclopentylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid?
(2R)-2-[9-(cyclopentylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid has a molecular weight of 322.45 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[9-(cyclopentylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid is sourced from PubChem (CID 97147878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).