3-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoylamino]propanoic acid

C15H26N2O4 — CID 122005372

IUPAC3-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoylamino]propanoic acid
SMILESCCOC1CC(NC(=O)NCCC(=O)O)C12CCCCC2
InChIInChI=1S/C15H26N2O4/c1-2-21-12-10-11(15(12)7-4-3-5-8-15)17-14(20)16-9-6-13(18)19/h11-12H,2-10H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyNANLEEWCEUPROM-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.89
Rot. Bonds6

About 3-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoylamino]propanoic acid

3-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoylamino]propanoic acid (PubChem CID 122005372) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 3-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoylamino]propanoic acid
PubChem CID122005372
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name3-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoylamino]propanoic acid
SMILESCCOC1CC(NC(=O)NCCC(=O)O)C12CCCCC2
InChIInChI=1S/C15H26N2O4/c1-2-21-12-10-11(15(12)7-4-3-5-8-15)17-14(20)16-9-6-13(18)19/h11-12H,2-10H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyNANLEEWCEUPROM-UHFFFAOYSA-N
XLogP1.89
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)carbamoylamino]propanoic acid
CID 122010375
N-(3-ethoxyspiro[3.5]nonan-1-yl)acetamide
CID 86769478
3-[(3-ethoxyspiro[3.4]octan-1-yl)carbamoyl-methylamino]propanoic acid
CID 122004397
1-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-3-(4-imidazol-1-ylbutyl)urea
CID 97100650
1-[(3,4-dimethoxyphenyl)methyl]-3-[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]urea
CID 95784357
(2S)-2-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide
CID 119335880
3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)propanamide;hydrochloride
CID 119329855
2-[[3-[(3-ethoxyspiro[3.4]octan-1-yl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122004400
N-(3-ethoxyspiro[3.4]octan-1-yl)-2-(methylamino)acetamide
CID 119794737
3-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-N,N-dimethylpropanamide
CID 65167588
4-[(3-ethoxyspiro[3.3]heptan-1-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122003623
7-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)heptanamide
CID 119805159

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoylamino]propanoic acid?
The IUPAC name of 3-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoylamino]propanoic acid (CID 122005372) is 3-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoylamino]propanoic acid.
What is the SMILES notation for 3-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoylamino]propanoic acid?
The canonical SMILES for 3-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoylamino]propanoic acid is CCOC1CC(NC(=O)NCCC(=O)O)C12CCCCC2.
What is the InChIKey of 3-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoylamino]propanoic acid?
The InChIKey is NANLEEWCEUPROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-2-21-12-10-11(15(12)7-4-3-5-8-15)17-14(20)16-9-6-13(18)19/h11-12H,2-10H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 3-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoylamino]propanoic acid?
3-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoylamino]propanoic acid has a molecular weight of 298.38 g/mol, XLogP of 1.89, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoylamino]propanoic acid is sourced from PubChem (CID 122005372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).