(2R)-6-(1-hydroxycyclopropanecarbonyl)-2-methyl-6-azaspiro[2.5]octane-2-carboxylic acid

C13H19NO4 — CID 146504621

IUPAC(2R)-6-(1-hydroxycyclopropanecarbonyl)-2-methyl-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESC[C@@]1(C(=O)O)CC12CCN(C(=O)C1(O)CC1)CC2
InChIInChI=1S/C13H19NO4/c1-11(10(16)17)8-12(11)4-6-14(7-5-12)9(15)13(18)2-3-13/h18H,2-8H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyHSJOHFUJLKUKHX-NSHDSACASA-N
MW253.30 g/mol
LogP0.61
Rot. Bonds2

About (2R)-6-(1-hydroxycyclopropanecarbonyl)-2-methyl-6-azaspiro[2.5]octane-2-carboxylic acid

(2R)-6-(1-hydroxycyclopropanecarbonyl)-2-methyl-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 146504621) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is (2R)-6-(1-hydroxycyclopropanecarbonyl)-2-methyl-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-6-(1-hydroxycyclopropanecarbonyl)-2-methyl-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID146504621
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name(2R)-6-(1-hydroxycyclopropanecarbonyl)-2-methyl-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESC[C@@]1(C(=O)O)CC12CCN(C(=O)C1(O)CC1)CC2
InChIInChI=1S/C13H19NO4/c1-11(10(16)17)8-12(11)4-6-14(7-5-12)9(15)13(18)2-3-13/h18H,2-8H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyHSJOHFUJLKUKHX-NSHDSACASA-N
XLogP0.61
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-6-(1-hydroxycyclopropanecarbonyl)-2-methyl-6-azaspiro[2.5]octane-2-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)-2-ethenyl-6-(1-hydroxycyclopropanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 146554483
4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbaldehyde
CID 141433309
(1-hydroxycyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 127916022
(1-hydroxycyclopropyl)-[(3R)-3-propan-2-ylpyrrolidin-1-yl]methanone
CID 176625352
4-hydroxy-4-methylpiperidine-1-carboxylic acid
CID 22507740
1-acetyl-3-hydroxypyrrolidine-3-carboxylic acid
CID 82411727
4-hydroxy-4-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 54557086
(1-hydroxycyclobutyl)-morpholin-4-ylmethanone
CID 130279279
(1-hydroxycyclopropyl)-[3-(methylamino)azetidin-1-yl]methanone
CID 118473852
1-(4-ethyl-4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 63161861
4-methyl-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxylic acid
CID 68759041
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 86275791

Frequently Asked Questions

What is the IUPAC name of (2R)-6-(1-hydroxycyclopropanecarbonyl)-2-methyl-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of (2R)-6-(1-hydroxycyclopropanecarbonyl)-2-methyl-6-azaspiro[2.5]octane-2-carboxylic acid (CID 146504621) is (2R)-6-(1-hydroxycyclopropanecarbonyl)-2-methyl-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for (2R)-6-(1-hydroxycyclopropanecarbonyl)-2-methyl-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for (2R)-6-(1-hydroxycyclopropanecarbonyl)-2-methyl-6-azaspiro[2.5]octane-2-carboxylic acid is C[C@@]1(C(=O)O)CC12CCN(C(=O)C1(O)CC1)CC2.
What is the InChIKey of (2R)-6-(1-hydroxycyclopropanecarbonyl)-2-methyl-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is HSJOHFUJLKUKHX-NSHDSACASA-N. The full InChI is InChI=1S/C13H19NO4/c1-11(10(16)17)8-12(11)4-6-14(7-5-12)9(15)13(18)2-3-13/h18H,2-8H2,1H3,(H,16,17)/t11-/m0/s1.
What are the key properties of (2R)-6-(1-hydroxycyclopropanecarbonyl)-2-methyl-6-azaspiro[2.5]octane-2-carboxylic acid?
(2R)-6-(1-hydroxycyclopropanecarbonyl)-2-methyl-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 253.30 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-(1-hydroxycyclopropanecarbonyl)-2-methyl-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 146504621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).