2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(2R)-oxolan-2-yl]propanoic acid

C12H21NO5 — CID 155819333

IUPAC2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(2R)-oxolan-2-yl]propanoic acid
SMILESCC(C)(C)OC(=O)NC(C[C@H]1CCCO1)C(=O)O
InChIInChI=1S/C12H21NO5/c1-12(2,3)18-11(16)13-9(10(14)15)7-8-5-4-6-17-8/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15)/t8-,9?/m1/s1
InChIKeyHLOYHEUHDBOTCD-VEDVMXKPSA-N
MW259.30 g/mol
LogP1.53
Rot. Bonds4

About 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(2R)-oxolan-2-yl]propanoic acid

2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(2R)-oxolan-2-yl]propanoic acid (PubChem CID 155819333) has the molecular formula C12H21NO5 and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(2R)-oxolan-2-yl]propanoic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(2R)-oxolan-2-yl]propanoic acid
PubChem CID155819333
Molecular FormulaC12H21NO5
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(2R)-oxolan-2-yl]propanoic acid
SMILESCC(C)(C)OC(=O)NC(C[C@H]1CCCO1)C(=O)O
InChIInChI=1S/C12H21NO5/c1-12(2,3)18-11(16)13-9(10(14)15)7-8-5-4-6-17-8/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15)/t8-,9?/m1/s1
InChIKeyHLOYHEUHDBOTCD-VEDVMXKPSA-N
XLogP1.53
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(2R)-oxolan-2-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(oxolan-2-yl)pentanoic acid
CID 82837575
2-(butoxycarbonylamino)-3-(oxolan-2-yl)propanoic acid
CID 66894946
(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2755927
(2S)-3-(1-deuteriocyclohexyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydrate
CID 140883558
2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-(oxolan-2-yl)propanoic acid
CID 70219190
2-[[(2S)-2-amino-3-methylpentanoyl]amino]-3-(oxolan-2-yl)propanoic acid
CID 70219183
tert-butyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo-5-(oxolan-2-yl)pentan-2-yl]carbamate
CID 147540302
N-cyclohexylcyclohexanamine;3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 53398052
tert-butyl N-[(2R,4R)-4-[2-[(2R)-oxolan-2-yl]ethylamino]pentan-2-yl]carbamate
CID 124856782
tert-butyl N-[(2S)-3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]carbamate
CID 110677926
tert-butyl N-[1-[methyl(oxolan-2-ylmethyl)amino]-1-oxopropan-2-yl]carbamate
CID 61436416
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]propanoic acid
CID 54848186

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(2R)-oxolan-2-yl]propanoic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(2R)-oxolan-2-yl]propanoic acid (CID 155819333) is 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(2R)-oxolan-2-yl]propanoic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(2R)-oxolan-2-yl]propanoic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(2R)-oxolan-2-yl]propanoic acid is CC(C)(C)OC(=O)NC(C[C@H]1CCCO1)C(=O)O.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(2R)-oxolan-2-yl]propanoic acid?
The InChIKey is HLOYHEUHDBOTCD-VEDVMXKPSA-N. The full InChI is InChI=1S/C12H21NO5/c1-12(2,3)18-11(16)13-9(10(14)15)7-8-5-4-6-17-8/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15)/t8-,9?/m1/s1.
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(2R)-oxolan-2-yl]propanoic acid?
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(2R)-oxolan-2-yl]propanoic acid has a molecular weight of 259.30 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(2R)-oxolan-2-yl]propanoic acid is sourced from PubChem (CID 155819333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).