2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2-methylpropanoic acid

C12H21NO4 — CID 79893907

IUPAC2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2-methylpropanoic acid
SMILESCC(C)(NC1CCOC2(CCOC2)C1)C(=O)O
InChIInChI=1S/C12H21NO4/c1-11(2,10(14)15)13-9-3-5-17-12(7-9)4-6-16-8-12/h9,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyGQGFTVRZCBLYGV-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.78
Rot. Bonds3

About 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2-methylpropanoic acid

2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2-methylpropanoic acid (PubChem CID 79893907) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2-methylpropanoic acid
PubChem CID79893907
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2-methylpropanoic acid
SMILESCC(C)(NC1CCOC2(CCOC2)C1)C(=O)O
InChIInChI=1S/C12H21NO4/c1-11(2,10(14)15)13-9-3-5-17-12(7-9)4-6-16-8-12/h9,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyGQGFTVRZCBLYGV-UHFFFAOYSA-N
XLogP0.78
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2,2-dimethylpropan-1-ol
CID 115359952
2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-4-methylpentanoic acid
CID 79894126
3-[[(5S,9R)-2,6-dioxaspiro[4.5]decan-9-yl]carbamoyl]-5-methylbenzoic acid
CID 129468061
4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentan-2-one
CID 79923487
1-cyclopropyl-3-[(5R,9S)-2,6-dioxaspiro[4.5]decan-9-yl]-1-ethylurea
CID 129347011
2-amino-2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one
CID 116558477
1-N-(2,6-dioxaspiro[4.5]decan-9-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 79895671
N-(2-methylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898440
2-methyl-2-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)butanoic acid
CID 79899395
2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-N-(2-methylpropyl)propanamide
CID 115885270
1-butyl-3-(2,6-dioxaspiro[4.5]decan-9-yl)urea
CID 86769827
1-[(5R,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-3-(3-phenylcyclobutyl)urea
CID 124887284

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2-methylpropanoic acid?
The IUPAC name of 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2-methylpropanoic acid (CID 79893907) is 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2-methylpropanoic acid.
What is the SMILES notation for 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2-methylpropanoic acid?
The canonical SMILES for 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2-methylpropanoic acid is CC(C)(NC1CCOC2(CCOC2)C1)C(=O)O.
What is the InChIKey of 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2-methylpropanoic acid?
The InChIKey is GQGFTVRZCBLYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-11(2,10(14)15)13-9-3-5-17-12(7-9)4-6-16-8-12/h9,13H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2-methylpropanoic acid?
2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2-methylpropanoic acid has a molecular weight of 243.30 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2-methylpropanoic acid is sourced from PubChem (CID 79893907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).