methyl (2R)-2-cyclopropyl-2-[[(3R)-oxolan-3-yl]methylamino]propanoate

C12H21NO3 — CID 97220901

IUPACmethyl (2R)-2-cyclopropyl-2-[[(3R)-oxolan-3-yl]methylamino]propanoate
SMILESCOC(=O)[C@](C)(NC[C@H]1CCOC1)C1CC1
InChIInChI=1S/C12H21NO3/c1-12(10-3-4-10,11(14)15-2)13-7-9-5-6-16-8-9/h9-10,13H,3-8H2,1-2H3/t9-,12-/m1/s1
InChIKeyYOBIEYBPQLEUAZ-BXKDBHETSA-N
MW227.30 g/mol
LogP0.95
Rot. Bonds5

About methyl (2R)-2-cyclopropyl-2-[[(3R)-oxolan-3-yl]methylamino]propanoate

methyl (2R)-2-cyclopropyl-2-[[(3R)-oxolan-3-yl]methylamino]propanoate (PubChem CID 97220901) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is methyl (2R)-2-cyclopropyl-2-[[(3R)-oxolan-3-yl]methylamino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-cyclopropyl-2-[[(3R)-oxolan-3-yl]methylamino]propanoate
PubChem CID97220901
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Namemethyl (2R)-2-cyclopropyl-2-[[(3R)-oxolan-3-yl]methylamino]propanoate
SMILESCOC(=O)[C@](C)(NC[C@H]1CCOC1)C1CC1
InChIInChI=1S/C12H21NO3/c1-12(10-3-4-10,11(14)15-2)13-7-9-5-6-16-8-9/h9-10,13H,3-8H2,1-2H3/t9-,12-/m1/s1
InChIKeyYOBIEYBPQLEUAZ-BXKDBHETSA-N
XLogP0.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-2-cyclopropyl-2-[[(3R)-oxolan-3-yl]methylamino]propanoate with MolForge

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Related Compounds

methyl 2-cyclopropyl-2-(cyclopropylmethylamino)propanoate
CID 61001123
2-methyl-2-(oxolan-3-ylmethylamino)butanoic acid
CID 78969295
2-(cyclobutylmethylamino)-2-cyclopropylpropanoic acid
CID 114988242
2-cyclopentyl-2-methyl-N-(oxolan-3-ylmethyl)propan-1-amine
CID 115888052
2-(tert-butylamino)-N-(oxolan-3-ylmethyl)acetamide
CID 112730307
methyl 2-hydroxy-2-methyl-3-(oxan-4-ylmethylamino)propanoate
CID 104644498
2-amino-2-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 79797743
methyl 2-bromo-3-(oxolan-3-ylmethylamino)propanoate
CID 103242537
2-cyclopropyl-2-(oxan-4-ylmethylamino)propan-1-ol
CID 115685825
2-methoxy-3,3-dimethyl-N-(oxolan-3-ylmethyl)butan-1-amine
CID 115887779
tert-butyl N-[2-(oxolan-3-ylmethylamino)ethyl]carbamate
CID 115607413
ethyl 2-cyclopropyl-2-(ethylamino)-3-(oxolan-3-ylmethoxy)propanoate
CID 63919336

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-cyclopropyl-2-[[(3R)-oxolan-3-yl]methylamino]propanoate?
The IUPAC name of methyl (2R)-2-cyclopropyl-2-[[(3R)-oxolan-3-yl]methylamino]propanoate (CID 97220901) is methyl (2R)-2-cyclopropyl-2-[[(3R)-oxolan-3-yl]methylamino]propanoate.
What is the SMILES notation for methyl (2R)-2-cyclopropyl-2-[[(3R)-oxolan-3-yl]methylamino]propanoate?
The canonical SMILES for methyl (2R)-2-cyclopropyl-2-[[(3R)-oxolan-3-yl]methylamino]propanoate is COC(=O)[C@](C)(NC[C@H]1CCOC1)C1CC1.
What is the InChIKey of methyl (2R)-2-cyclopropyl-2-[[(3R)-oxolan-3-yl]methylamino]propanoate?
The InChIKey is YOBIEYBPQLEUAZ-BXKDBHETSA-N. The full InChI is InChI=1S/C12H21NO3/c1-12(10-3-4-10,11(14)15-2)13-7-9-5-6-16-8-9/h9-10,13H,3-8H2,1-2H3/t9-,12-/m1/s1.
What are the key properties of methyl (2R)-2-cyclopropyl-2-[[(3R)-oxolan-3-yl]methylamino]propanoate?
methyl (2R)-2-cyclopropyl-2-[[(3R)-oxolan-3-yl]methylamino]propanoate has a molecular weight of 227.30 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-cyclopropyl-2-[[(3R)-oxolan-3-yl]methylamino]propanoate is sourced from PubChem (CID 97220901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).