oxolan-3-yl (2R)-2-amino-3,3-dimethylbutanoate

C10H19NO3 — CID 103927419

IUPACoxolan-3-yl (2R)-2-amino-3,3-dimethylbutanoate
SMILESCC(C)(C)[C@@H](N)C(=O)OC1CCOC1
InChIInChI=1S/C10H19NO3/c1-10(2,3)8(11)9(12)14-7-4-5-13-6-7/h7-8H,4-6,11H2,1-3H3/t7?,8-/m0/s1
InChIKeyXIAQHONLQTWOLW-MQWKRIRWSA-N
MW201.27 g/mol
LogP0.69
Rot. Bonds2

About oxolan-3-yl (2R)-2-amino-3,3-dimethylbutanoate

oxolan-3-yl (2R)-2-amino-3,3-dimethylbutanoate (PubChem CID 103927419) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is oxolan-3-yl (2R)-2-amino-3,3-dimethylbutanoate.

Molecular Properties

Compound Nameoxolan-3-yl (2R)-2-amino-3,3-dimethylbutanoate
PubChem CID103927419
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameoxolan-3-yl (2R)-2-amino-3,3-dimethylbutanoate
SMILESCC(C)(C)[C@@H](N)C(=O)OC1CCOC1
InChIInChI=1S/C10H19NO3/c1-10(2,3)8(11)9(12)14-7-4-5-13-6-7/h7-8H,4-6,11H2,1-3H3/t7?,8-/m0/s1
InChIKeyXIAQHONLQTWOLW-MQWKRIRWSA-N
XLogP0.69
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

oxolan-3-yl 2-amino-3-hydroxy-3-methylbutanoate
CID 122539257
[(3S)-oxolan-3-yl] (2S)-2-bromopropanoate
CID 11470107
[(3R)-oxolan-3-yl] 2-amino-2-methylpropanoate
CID 171836010
oxolan-3-yl 2-amino-4-methylpentanoate
CID 63559458
oxolan-3-yl (2R)-2-amino-3-hydroxypropanoate
CID 80749674
(2S)-2-amino-3,3-dimethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]butanamide
CID 119812763
[(3S)-oxolan-3-yl] 2-(phosphanylamino)propanoate
CID 175404027
oxolan-3-yl 3-amino-2-hydroxy-2-methylpropanoate
CID 66173034
[(3R)-oxolan-3-yl] hydrogen carbonate
CID 67122885
(2R)-2-amino-3,3-dimethyl-N-(oxolan-3-yl)butanamide
CID 103930246
oxolan-3-yl 5-amino-2-methylpentanoate
CID 104686034
oxolan-3-yl 4-amino-3-methylbutanoate
CID 81072972

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl (2R)-2-amino-3,3-dimethylbutanoate?
The IUPAC name of oxolan-3-yl (2R)-2-amino-3,3-dimethylbutanoate (CID 103927419) is oxolan-3-yl (2R)-2-amino-3,3-dimethylbutanoate.
What is the SMILES notation for oxolan-3-yl (2R)-2-amino-3,3-dimethylbutanoate?
The canonical SMILES for oxolan-3-yl (2R)-2-amino-3,3-dimethylbutanoate is CC(C)(C)[C@@H](N)C(=O)OC1CCOC1.
What is the InChIKey of oxolan-3-yl (2R)-2-amino-3,3-dimethylbutanoate?
The InChIKey is XIAQHONLQTWOLW-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H19NO3/c1-10(2,3)8(11)9(12)14-7-4-5-13-6-7/h7-8H,4-6,11H2,1-3H3/t7?,8-/m0/s1.
What are the key properties of oxolan-3-yl (2R)-2-amino-3,3-dimethylbutanoate?
oxolan-3-yl (2R)-2-amino-3,3-dimethylbutanoate has a molecular weight of 201.27 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl (2R)-2-amino-3,3-dimethylbutanoate is sourced from PubChem (CID 103927419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).