tert-butyl (2R)-2-(furan-3-carbonylamino)propanoate

C12H17NO4 — CID 81003529

IUPACtert-butyl (2R)-2-(furan-3-carbonylamino)propanoate
SMILESC[C@@H](NC(=O)c1ccoc1)C(=O)OC(C)(C)C
InChIInChI=1S/C12H17NO4/c1-8(11(15)17-12(2,3)4)13-10(14)9-5-6-16-7-9/h5-8H,1-4H3,(H,13,14)/t8-/m1/s1
InChIKeyILFZGMKJAQNYLX-MRVPVSSYSA-N
MW239.27 g/mol
LogP1.74
Rot. Bonds3

About tert-butyl (2R)-2-(furan-3-carbonylamino)propanoate

tert-butyl (2R)-2-(furan-3-carbonylamino)propanoate (PubChem CID 81003529) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is tert-butyl (2R)-2-(furan-3-carbonylamino)propanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(furan-3-carbonylamino)propanoate
PubChem CID81003529
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Nametert-butyl (2R)-2-(furan-3-carbonylamino)propanoate
SMILESC[C@@H](NC(=O)c1ccoc1)C(=O)OC(C)(C)C
InChIInChI=1S/C12H17NO4/c1-8(11(15)17-12(2,3)4)13-10(14)9-5-6-16-7-9/h5-8H,1-4H3,(H,13,14)/t8-/m1/s1
InChIKeyILFZGMKJAQNYLX-MRVPVSSYSA-N
XLogP1.74
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[(2S)-2-(furan-3-carbonylamino)propanoyl]piperazine-1-carboxylate
CID 51963673
tert-butyl (2R)-2-benzamidopropanoate
CID 81004223
N-(3-oxobutan-2-yl)furan-3-carboxamide
CID 64997031
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 119626005
tert-butyl N-(furan-3-carbonyl)carbamate
CID 176560288
tert-butyl (2S)-2-[(3,4-dihydroxybenzoyl)amino]propanoate
CID 103957625
tert-butyl 2-(pyridazine-4-carbonylamino)propanoate
CID 154674168
tert-butyl 2-(furan-3-ylmethylamino)propanoate
CID 115626166
tert-butyl (2S)-2-[(2-chloropyridine-4-carbonyl)amino]propanoate
CID 103822368
tert-butyl (2R)-2-[(3-fluorobenzoyl)amino]propanoate
CID 81004313
2-[2-(furan-3-carbonylamino)propanoylamino]-2-methylbutanoic acid
CID 119199037
tert-butyl (2S)-2-[(2,6-dihydroxybenzoyl)amino]propanoate
CID 103890672

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(furan-3-carbonylamino)propanoate?
The IUPAC name of tert-butyl (2R)-2-(furan-3-carbonylamino)propanoate (CID 81003529) is tert-butyl (2R)-2-(furan-3-carbonylamino)propanoate.
What is the SMILES notation for tert-butyl (2R)-2-(furan-3-carbonylamino)propanoate?
The canonical SMILES for tert-butyl (2R)-2-(furan-3-carbonylamino)propanoate is C[C@@H](NC(=O)c1ccoc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-(furan-3-carbonylamino)propanoate?
The InChIKey is ILFZGMKJAQNYLX-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-8(11(15)17-12(2,3)4)13-10(14)9-5-6-16-7-9/h5-8H,1-4H3,(H,13,14)/t8-/m1/s1.
What are the key properties of tert-butyl (2R)-2-(furan-3-carbonylamino)propanoate?
tert-butyl (2R)-2-(furan-3-carbonylamino)propanoate has a molecular weight of 239.27 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(furan-3-carbonylamino)propanoate is sourced from PubChem (CID 81003529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).