5-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]furan-2-carboxylic acid

C15H15NO5 — CID 11701995

IUPAC5-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]furan-2-carboxylic acid
SMILESC[C@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)O)o1
InChIInChI=1S/C15H15NO5/c1-10(12-7-8-13(21-12)14(17)18)16-15(19)20-9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,16,19)(H,17,18)/t10-/m0/s1
InChIKeyBLZUYRKMYYBJBV-JTQLQIEISA-N
MW289.29 g/mol
LogP2.97
Rot. Bonds5

About 5-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]furan-2-carboxylic acid

5-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]furan-2-carboxylic acid (PubChem CID 11701995) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is 5-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]furan-2-carboxylic acid
PubChem CID11701995
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name5-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]furan-2-carboxylic acid
SMILESC[C@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)O)o1
InChIInChI=1S/C15H15NO5/c1-10(12-7-8-13(21-12)14(17)18)16-15(19)20-9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,16,19)(H,17,18)/t10-/m0/s1
InChIKeyBLZUYRKMYYBJBV-JTQLQIEISA-N
XLogP2.97
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[(1S)-1-(2-bromophenyl)ethyl]carbamate
CID 130164899
benzyl N-(3-oxobutan-2-yl)carbamate
CID 18726564
benzyl N-(3-methylbutan-2-yl)carbamate;ethane
CID 145481818
benzyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 59895800
methyl 4-[1-(phenylmethoxycarbonylamino)ethyl]benzoate
CID 139526355
2-(phenylmethoxycarbonylamino)propanoate
CID 4115530
ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 10538700
benzyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 11631115
benzyl N-[(2S)-1-oxo-1-(1-phenylethylamino)propan-2-yl]carbamate
CID 18108336
3-(5-methylfuran-2-yl)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 53441984
benzyl N-[(1S)-1-(3-fluorophenyl)ethyl]carbamate
CID 130581025
methyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 12675847

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]furan-2-carboxylic acid (CID 11701995) is 5-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]furan-2-carboxylic acid is C[C@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]furan-2-carboxylic acid?
The InChIKey is BLZUYRKMYYBJBV-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15NO5/c1-10(12-7-8-13(21-12)14(17)18)16-15(19)20-9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,16,19)(H,17,18)/t10-/m0/s1.
What are the key properties of 5-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]furan-2-carboxylic acid?
5-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]furan-2-carboxylic acid has a molecular weight of 289.29 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]furan-2-carboxylic acid is sourced from PubChem (CID 11701995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).