methyl 2-methyl-2-[[(2S)-oxolan-2-yl]methylamino]propanoate

C10H19NO3 — CID 30030904

IUPACmethyl 2-methyl-2-[[(2S)-oxolan-2-yl]methylamino]propanoate
SMILESCOC(=O)C(C)(C)NC[C@@H]1CCCO1
InChIInChI=1S/C10H19NO3/c1-10(2,9(12)13-3)11-7-8-5-4-6-14-8/h8,11H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyFJIWOJVFIACXQN-QMMMGPOBSA-N
MW201.27 g/mol
LogP0.71
Rot. Bonds4

About methyl 2-methyl-2-[[(2S)-oxolan-2-yl]methylamino]propanoate

methyl 2-methyl-2-[[(2S)-oxolan-2-yl]methylamino]propanoate (PubChem CID 30030904) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 2-methyl-2-[[(2S)-oxolan-2-yl]methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[[(2S)-oxolan-2-yl]methylamino]propanoate
PubChem CID30030904
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 2-methyl-2-[[(2S)-oxolan-2-yl]methylamino]propanoate
SMILESCOC(=O)C(C)(C)NC[C@@H]1CCCO1
InChIInChI=1S/C10H19NO3/c1-10(2,9(12)13-3)11-7-8-5-4-6-14-8/h8,11H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyFJIWOJVFIACXQN-QMMMGPOBSA-N
XLogP0.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentanoic acid
CID 60990995
methyl (2R)-2-acetamido-3,3,3-trifluoro-2-[[(2R)-oxolan-2-yl]methylamino]propanoate
CID 7044776
2-cyclohexyl-2-(oxolan-2-ylmethylamino)propanoic acid
CID 63323875
methyl 2-(2-methoxyphenyl)-2-(oxolan-2-ylmethylamino)propanoate
CID 60994624
methyl 2-(3-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)propanoate
CID 60993337
methyl 2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)butanoate
CID 60993623
methyl 2-(cyclohexanecarbonylamino)-3,3,3-trifluoro-2-(oxolan-2-ylmethylamino)propanoate
CID 5201577
methyl 2-hydroxy-2-methyl-3-(oxolan-2-ylmethylsulfanyl)propanoate
CID 106493583
methyl 2-[[(2R)-oxolan-2-yl]methylamino]acetate
CID 28585559
ethyl 2-methyl-2-(oxolan-2-ylmethylamino)heptanoate
CID 80557990
methyl 2-amino-2-methyl-4-(oxolan-2-ylmethoxy)pentanoate
CID 64708810
2-bromo-2-methyl-N-(oxolan-2-ylmethyl)propanamide
CID 82108842

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[[(2S)-oxolan-2-yl]methylamino]propanoate?
The IUPAC name of methyl 2-methyl-2-[[(2S)-oxolan-2-yl]methylamino]propanoate (CID 30030904) is methyl 2-methyl-2-[[(2S)-oxolan-2-yl]methylamino]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[[(2S)-oxolan-2-yl]methylamino]propanoate?
The canonical SMILES for methyl 2-methyl-2-[[(2S)-oxolan-2-yl]methylamino]propanoate is COC(=O)C(C)(C)NC[C@@H]1CCCO1.
What is the InChIKey of methyl 2-methyl-2-[[(2S)-oxolan-2-yl]methylamino]propanoate?
The InChIKey is FJIWOJVFIACXQN-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H19NO3/c1-10(2,9(12)13-3)11-7-8-5-4-6-14-8/h8,11H,4-7H2,1-3H3/t8-/m0/s1.
What are the key properties of methyl 2-methyl-2-[[(2S)-oxolan-2-yl]methylamino]propanoate?
methyl 2-methyl-2-[[(2S)-oxolan-2-yl]methylamino]propanoate has a molecular weight of 201.27 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[[(2S)-oxolan-2-yl]methylamino]propanoate is sourced from PubChem (CID 30030904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).