1-[(3-ethoxyspiro[3.4]octan-1-yl)carbamoyl]pyrrolidine-3-carboxylic acid

C16H26N2O4 — CID 122004396

IUPAC1-[(3-ethoxyspiro[3.4]octan-1-yl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCCOC1CC(NC(=O)N2CCC(C(=O)O)C2)C12CCCC2
InChIInChI=1S/C16H26N2O4/c1-2-22-13-9-12(16(13)6-3-4-7-16)17-15(21)18-8-5-11(10-18)14(19)20/h11-13H,2-10H2,1H3,(H,17,21)(H,19,20)
InChIKeyRHOWCMWEVGIFRV-UHFFFAOYSA-N
MW310.39 g/mol
LogP1.84
Rot. Bonds4

About 1-[(3-ethoxyspiro[3.4]octan-1-yl)carbamoyl]pyrrolidine-3-carboxylic acid

1-[(3-ethoxyspiro[3.4]octan-1-yl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 122004396) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is 1-[(3-ethoxyspiro[3.4]octan-1-yl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-ethoxyspiro[3.4]octan-1-yl)carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID122004396
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name1-[(3-ethoxyspiro[3.4]octan-1-yl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCCOC1CC(NC(=O)N2CCC(C(=O)O)C2)C12CCCC2
InChIInChI=1S/C16H26N2O4/c1-2-22-13-9-12(16(13)6-3-4-7-16)17-15(21)18-8-5-11(10-18)14(19)20/h11-13H,2-10H2,1H3,(H,17,21)(H,19,20)
InChIKeyRHOWCMWEVGIFRV-UHFFFAOYSA-N
XLogP1.84
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethoxyspiro[3.4]octan-1-yl)-3-hydroxypiperidine-1-carboxamide
CID 111509101
N-(3-ethoxyspiro[3.5]nonan-1-yl)acetamide
CID 86769478
N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-4-imidazol-1-ylpiperidine-1-carboxamide
CID 97219565
1-[(3-ethoxycyclobutyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 114120212
(3R)-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-3-(hydroxymethyl)-3-methylpiperidine-1-carboxamide
CID 99623012
4-[(3-ethoxyspiro[3.3]heptan-1-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122003623
2-[(3-ethoxyspiro[3.3]heptan-1-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120976421
3-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoylamino]propanoic acid
CID 122005372
(3S,4S)-1-[(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122010384
(2S)-2-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide
CID 119335880
N-(3-ethoxyspiro[3.3]heptan-1-yl)-2-(1-hydroxycyclopentyl)acetamide
CID 111540303
3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)cyclopentane-1-carboxamide
CID 119794729

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethoxyspiro[3.4]octan-1-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(3-ethoxyspiro[3.4]octan-1-yl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 122004396) is 1-[(3-ethoxyspiro[3.4]octan-1-yl)carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-ethoxyspiro[3.4]octan-1-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(3-ethoxyspiro[3.4]octan-1-yl)carbamoyl]pyrrolidine-3-carboxylic acid is CCOC1CC(NC(=O)N2CCC(C(=O)O)C2)C12CCCC2.
What is the InChIKey of 1-[(3-ethoxyspiro[3.4]octan-1-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is RHOWCMWEVGIFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-2-22-13-9-12(16(13)6-3-4-7-16)17-15(21)18-8-5-11(10-18)14(19)20/h11-13H,2-10H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 1-[(3-ethoxyspiro[3.4]octan-1-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
1-[(3-ethoxyspiro[3.4]octan-1-yl)carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 310.39 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethoxyspiro[3.4]octan-1-yl)carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122004396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).