3-[(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)carbamoylamino]propanoic acid

C14H24N2O5 — CID 122010375

IUPAC3-[(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)carbamoylamino]propanoic acid
SMILESCCOC1CC(NC(=O)NCCC(=O)O)C12CCOCC2
InChIInChI=1S/C14H24N2O5/c1-2-21-11-9-10(14(11)4-7-20-8-5-14)16-13(19)15-6-3-12(17)18/h10-11H,2-9H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyIEQQNXXBYDNVKV-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.73
Rot. Bonds6

About 3-[(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)carbamoylamino]propanoic acid

3-[(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)carbamoylamino]propanoic acid (PubChem CID 122010375) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-[(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)carbamoylamino]propanoic acid
PubChem CID122010375
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name3-[(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)carbamoylamino]propanoic acid
SMILESCCOC1CC(NC(=O)NCCC(=O)O)C12CCOCC2
InChIInChI=1S/C14H24N2O5/c1-2-21-11-9-10(14(11)4-7-20-8-5-14)16-13(19)15-6-3-12(17)18/h10-11H,2-9H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyIEQQNXXBYDNVKV-UHFFFAOYSA-N
XLogP0.73
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoylamino]propanoic acid
CID 122005372
1-(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)-3-(thietan-3-ylmethyl)urea
CID 126835192
(3S,4S)-1-[(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122010384
(1R,3R)-3-ethoxy-7-oxaspiro[3.5]nonan-1-ol
CID 97300110
(1S,3R)-3-ethoxy-7-oxaspiro[3.5]nonan-1-ol
CID 97300107
3-[(3-ethoxyspiro[3.4]octan-1-yl)carbamoyl-methylamino]propanoic acid
CID 122004397
N-(3-ethoxyspiro[3.5]nonan-1-yl)acetamide
CID 86769478
1-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-3-(4-imidazol-1-ylbutyl)urea
CID 97029425
1-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-3-(4-imidazol-1-ylbutyl)urea
CID 97100650
4-[(3-ethoxyspiro[3.3]heptan-1-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122003623
1-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]urea
CID 95928164
3-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)propanamide
CID 119334931

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)carbamoylamino]propanoic acid?
The IUPAC name of 3-[(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)carbamoylamino]propanoic acid (CID 122010375) is 3-[(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)carbamoylamino]propanoic acid.
What is the SMILES notation for 3-[(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)carbamoylamino]propanoic acid?
The canonical SMILES for 3-[(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)carbamoylamino]propanoic acid is CCOC1CC(NC(=O)NCCC(=O)O)C12CCOCC2.
What is the InChIKey of 3-[(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)carbamoylamino]propanoic acid?
The InChIKey is IEQQNXXBYDNVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-2-21-11-9-10(14(11)4-7-20-8-5-14)16-13(19)15-6-3-12(17)18/h10-11H,2-9H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 3-[(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)carbamoylamino]propanoic acid?
3-[(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)carbamoylamino]propanoic acid has a molecular weight of 300.36 g/mol, XLogP of 0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)carbamoylamino]propanoic acid is sourced from PubChem (CID 122010375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).