2-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethylcarbamoylamino)propanoic acid

C15H26N2O4 — CID 102896511

IUPAC2-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethylcarbamoylamino)propanoic acid
SMILESCC(C)(NC(=O)NCC1CCC2(CCCCC2)O1)C(=O)O
InChIInChI=1S/C15H26N2O4/c1-14(2,12(18)19)17-13(20)16-10-11-6-9-15(21-11)7-4-3-5-8-15/h11H,3-10H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyIIPFAFDJDURYCM-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.03
Rot. Bonds4

About 2-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethylcarbamoylamino)propanoic acid

2-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethylcarbamoylamino)propanoic acid (PubChem CID 102896511) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethylcarbamoylamino)propanoic acid
PubChem CID102896511
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethylcarbamoylamino)propanoic acid
SMILESCC(C)(NC(=O)NCC1CCC2(CCCCC2)O1)C(=O)O
InChIInChI=1S/C15H26N2O4/c1-14(2,12(18)19)17-13(20)16-10-11-6-9-15(21-11)7-4-3-5-8-15/h11H,3-10H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyIIPFAFDJDURYCM-UHFFFAOYSA-N
XLogP2.03
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-(1-oxaspiro[4.5]decan-2-ylmethylamino)acetamide
CID 102897648
2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine
CID 102896742
2-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propane-1,3-diol
CID 102897666
2-methyl-2-(oxan-4-ylmethylcarbamoylamino)propanoic acid
CID 62385844
N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896520
2,2-dimethyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine
CID 102896955
3-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propanoic acid
CID 102899126
2-ethyl-2-(1-oxaspiro[4.5]decan-2-ylmethylamino)propane-1,3-diol
CID 107865527
2-methyl-2-[(2-methylcyclopropyl)methylcarbamoylamino]propanoic acid
CID 103995921
1,1-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)hydrazine
CID 102897694
2,3,3-trimethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 102897716
2-[(1,1-dioxothiolan-3-yl)methylcarbamoylamino]-2-methylpropanoic acid
CID 55039191

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethylcarbamoylamino)propanoic acid?
The IUPAC name of 2-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethylcarbamoylamino)propanoic acid (CID 102896511) is 2-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethylcarbamoylamino)propanoic acid.
What is the SMILES notation for 2-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethylcarbamoylamino)propanoic acid?
The canonical SMILES for 2-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethylcarbamoylamino)propanoic acid is CC(C)(NC(=O)NCC1CCC2(CCCCC2)O1)C(=O)O.
What is the InChIKey of 2-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethylcarbamoylamino)propanoic acid?
The InChIKey is IIPFAFDJDURYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-14(2,12(18)19)17-13(20)16-10-11-6-9-15(21-11)7-4-3-5-8-15/h11H,3-10H2,1-2H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethylcarbamoylamino)propanoic acid?
2-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethylcarbamoylamino)propanoic acid has a molecular weight of 298.38 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethylcarbamoylamino)propanoic acid is sourced from PubChem (CID 102896511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).