2-[furan-2-yl(phenylmethoxycarbonyl)amino]acetic acid

C14H13NO5 — CID 54412250

IUPAC2-[furan-2-yl(phenylmethoxycarbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)OCc1ccccc1)c1ccco1
InChIInChI=1S/C14H13NO5/c16-13(17)9-15(12-7-4-8-19-12)14(18)20-10-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,16,17)
InChIKeyVUYFZOWAXJMWJT-UHFFFAOYSA-N
MW275.26 g/mol
LogP2.51
Rot. Bonds5

About 2-[furan-2-yl(phenylmethoxycarbonyl)amino]acetic acid

2-[furan-2-yl(phenylmethoxycarbonyl)amino]acetic acid (PubChem CID 54412250) has the molecular formula C14H13NO5 and a molecular weight of 275.26 g/mol. Its IUPAC name is 2-[furan-2-yl(phenylmethoxycarbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[furan-2-yl(phenylmethoxycarbonyl)amino]acetic acid
PubChem CID54412250
Molecular FormulaC14H13NO5
Molecular Weight275.26 g/mol
Exact Mass275.08
IUPAC Name2-[furan-2-yl(phenylmethoxycarbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)OCc1ccccc1)c1ccco1
InChIInChI=1S/C14H13NO5/c16-13(17)9-15(12-7-4-8-19-12)14(18)20-10-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,16,17)
InChIKeyVUYFZOWAXJMWJT-UHFFFAOYSA-N
XLogP2.51
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-amino-N-phenylmethoxycarbonylanilino)acetic acid
CID 18919523
2-(4-chloro-N-phenylmethoxycarbonylanilino)acetic acid
CID 60825920
2-(N-(2-oxo-2-phenylmethoxyacetyl)anilino)acetic acid
CID 68865167
benzyl N-[2-(furan-2-yl)ethyl]-N-methylcarbamate
CID 110733313
benzyl N,N-dimethylcarbamate
CID 12963450
benzyl 2-(furan-2-yl)acetate
CID 11447250
2-[carboxymethyl-[2-[carboxymethyl-(2-oxo-2-phenylmethoxyethyl)amino]ethyl]amino]acetic acid
CID 22072677
benzyl N-benzyl-N-[benzyl(phenylmethoxycarbonyl)amino]oxycarbamate
CID 57277230
benzyl N-amino-N-phenylcarbamate
CID 54267520
benzyl N,N-bis(2-hydroxyethyl)carbamate
CID 23498447
benzyl N-ethyl-N-propylcarbamate
CID 126656974
2-[[(2S)-2-amino-3-phenylpropanoyl]-phenylmethoxycarbonylamino]acetic acid
CID 70053043

Frequently Asked Questions

What is the IUPAC name of 2-[furan-2-yl(phenylmethoxycarbonyl)amino]acetic acid?
The IUPAC name of 2-[furan-2-yl(phenylmethoxycarbonyl)amino]acetic acid (CID 54412250) is 2-[furan-2-yl(phenylmethoxycarbonyl)amino]acetic acid.
What is the SMILES notation for 2-[furan-2-yl(phenylmethoxycarbonyl)amino]acetic acid?
The canonical SMILES for 2-[furan-2-yl(phenylmethoxycarbonyl)amino]acetic acid is O=C(O)CN(C(=O)OCc1ccccc1)c1ccco1.
What is the InChIKey of 2-[furan-2-yl(phenylmethoxycarbonyl)amino]acetic acid?
The InChIKey is VUYFZOWAXJMWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5/c16-13(17)9-15(12-7-4-8-19-12)14(18)20-10-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,16,17).
What are the key properties of 2-[furan-2-yl(phenylmethoxycarbonyl)amino]acetic acid?
2-[furan-2-yl(phenylmethoxycarbonyl)amino]acetic acid has a molecular weight of 275.26 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[furan-2-yl(phenylmethoxycarbonyl)amino]acetic acid is sourced from PubChem (CID 54412250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).