2-hydroxy-2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanoic acid

C10H17NO4 — CID 104644781

IUPAC2-hydroxy-2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanoic acid
SMILESCC(O)(CNC1CC2CCC1O2)C(=O)O
InChIInChI=1S/C10H17NO4/c1-10(14,9(12)13)5-11-7-4-6-2-3-8(7)15-6/h6-8,11,14H,2-5H2,1H3,(H,12,13)
InChIKeyQUXXYGHPMOZGGM-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.27
Rot. Bonds4

About 2-hydroxy-2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanoic acid

2-hydroxy-2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanoic acid (PubChem CID 104644781) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanoic acid
PubChem CID104644781
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name2-hydroxy-2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanoic acid
SMILESCC(O)(CNC1CC2CCC1O2)C(=O)O
InChIInChI=1S/C10H17NO4/c1-10(14,9(12)13)5-11-7-4-6-2-3-8(7)15-6/h6-8,11,14H,2-5H2,1H3,(H,12,13)
InChIKeyQUXXYGHPMOZGGM-UHFFFAOYSA-N
XLogP-0.27
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-3-oxopropanoic acid
CID 82821881
2-hydroxy-2-methyl-3-[(2-methylcyclopropyl)amino]propanoic acid
CID 104644381
3-amino-2,2,3-trimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)butanamide
CID 80721255
3-[(2,4-dimethylcyclohexyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 104644528
7-oxabicyclo[2.2.1]heptan-2-ylcarbamic acid
CID 67016834
ethyl 6-(7-oxabicyclo[2.2.1]heptan-2-ylamino)hexanoate
CID 80720435
tert-butyl N-tert-butyl-N-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]carbamate
CID 107445874
2-acetamido-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanoic acid
CID 80720713
(2S)-2-amino-3,3-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)butanamide
CID 80721257
N-[(1R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide
CID 91023793
tert-butyl N-[(1S,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]carbamate
CID 97052837
2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1-piperidin-1-ylethanone
CID 80721296

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanoic acid (CID 104644781) is 2-hydroxy-2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanoic acid is CC(O)(CNC1CC2CCC1O2)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanoic acid?
The InChIKey is QUXXYGHPMOZGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-10(14,9(12)13)5-11-7-4-6-2-3-8(7)15-6/h6-8,11,14H,2-5H2,1H3,(H,12,13).
What are the key properties of 2-hydroxy-2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanoic acid?
2-hydroxy-2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanoic acid has a molecular weight of 215.25 g/mol, XLogP of -0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanoic acid is sourced from PubChem (CID 104644781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).