[(3R)-oxolan-3-yl] 2-amino-2-methylpropanoate

C8H15NO3 — CID 171836010

IUPAC[(3R)-oxolan-3-yl] 2-amino-2-methylpropanoate
SMILESCC(C)(N)C(=O)O[C@@H]1CCOC1
InChIInChI=1S/C8H15NO3/c1-8(2,9)7(10)12-6-3-4-11-5-6/h6H,3-5,9H2,1-2H3/t6-/m1/s1
InChIKeyJUSKYCBVNYMSRR-ZCFIWIBFSA-N
MW173.21 g/mol
LogP0.06
Rot. Bonds2

About [(3R)-oxolan-3-yl] 2-amino-2-methylpropanoate

[(3R)-oxolan-3-yl] 2-amino-2-methylpropanoate (PubChem CID 171836010) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is [(3R)-oxolan-3-yl] 2-amino-2-methylpropanoate.

Molecular Properties

Compound Name[(3R)-oxolan-3-yl] 2-amino-2-methylpropanoate
PubChem CID171836010
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name[(3R)-oxolan-3-yl] 2-amino-2-methylpropanoate
SMILESCC(C)(N)C(=O)O[C@@H]1CCOC1
InChIInChI=1S/C8H15NO3/c1-8(2,9)7(10)12-6-3-4-11-5-6/h6H,3-5,9H2,1-2H3/t6-/m1/s1
InChIKeyJUSKYCBVNYMSRR-ZCFIWIBFSA-N
XLogP0.06
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

oxolan-3-yl 3-amino-2-hydroxy-2-methylpropanoate
CID 66173034
oxolan-3-yl (2R)-2-amino-3,3-dimethylbutanoate
CID 103927419
oxolan-3-yl 2-amino-3-hydroxy-3-methylbutanoate
CID 122539257
[(3S)-oxolan-3-yl] (2S)-2-bromopropanoate
CID 11470107
[(3R)-oxolan-3-yl] hydrogen carbonate
CID 67122885
oxolan-3-yl 1-aminocyclopropane-1-carboxylate
CID 65453525
[(3S)-oxolan-3-yl] 2-(phosphanylamino)propanoate
CID 175404027
oxolan-3-yl 2-amino-4-methylpentanoate
CID 63559458
[(3R)-oxolan-3-yl] 3-methylbut-2-enoate
CID 130831266
[(3S)-oxolan-3-yl] (2S)-2,3-diamino-2-(heptan-4-ylsulfonylmethyl)-3-oxopropanoate
CID 69134996
oxolan-3-yl (2R)-2-amino-3-hydroxypropanoate
CID 80749674
2-amino-2-methyl-N-[1-(oxolan-3-yloxy)propan-2-yl]propanamide;hydrochloride
CID 119340247

Frequently Asked Questions

What is the IUPAC name of [(3R)-oxolan-3-yl] 2-amino-2-methylpropanoate?
The IUPAC name of [(3R)-oxolan-3-yl] 2-amino-2-methylpropanoate (CID 171836010) is [(3R)-oxolan-3-yl] 2-amino-2-methylpropanoate.
What is the SMILES notation for [(3R)-oxolan-3-yl] 2-amino-2-methylpropanoate?
The canonical SMILES for [(3R)-oxolan-3-yl] 2-amino-2-methylpropanoate is CC(C)(N)C(=O)O[C@@H]1CCOC1.
What is the InChIKey of [(3R)-oxolan-3-yl] 2-amino-2-methylpropanoate?
The InChIKey is JUSKYCBVNYMSRR-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H15NO3/c1-8(2,9)7(10)12-6-3-4-11-5-6/h6H,3-5,9H2,1-2H3/t6-/m1/s1.
What are the key properties of [(3R)-oxolan-3-yl] 2-amino-2-methylpropanoate?
[(3R)-oxolan-3-yl] 2-amino-2-methylpropanoate has a molecular weight of 173.21 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-oxolan-3-yl] 2-amino-2-methylpropanoate is sourced from PubChem (CID 171836010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).