2-(furan-3-ylmethylamino)-2-phenylacetic acid

C13H13NO3 — CID 63204557

IUPAC2-(furan-3-ylmethylamino)-2-phenylacetic acid
SMILESO=C(O)C(NCc1ccoc1)c1ccccc1
InChIInChI=1S/C13H13NO3/c15-13(16)12(11-4-2-1-3-5-11)14-8-10-6-7-17-9-10/h1-7,9,12,14H,8H2,(H,15,16)
InChIKeyZCNAKHGHKLEHAX-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.20
Rot. Bonds5

About 2-(furan-3-ylmethylamino)-2-phenylacetic acid

2-(furan-3-ylmethylamino)-2-phenylacetic acid (PubChem CID 63204557) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-(furan-3-ylmethylamino)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(furan-3-ylmethylamino)-2-phenylacetic acid
PubChem CID63204557
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name2-(furan-3-ylmethylamino)-2-phenylacetic acid
SMILESO=C(O)C(NCc1ccoc1)c1ccccc1
InChIInChI=1S/C13H13NO3/c15-13(16)12(11-4-2-1-3-5-11)14-8-10-6-7-17-9-10/h1-7,9,12,14H,8H2,(H,15,16)
InChIKeyZCNAKHGHKLEHAX-UHFFFAOYSA-N
XLogP2.20
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-3-ylmethyl)-1-phenylethanamine
CID 42773967
2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-2-phenylacetic acid
CID 61422318
(2S)-2-[[4-(aminomethyl)phenyl]methylamino]-2-phenylacetic acid
CID 68782379
2-[(4-methylphenyl)methylamino]-2-phenylacetic acid
CID 55036353
N-[(1S)-2-(furan-3-ylmethylamino)-2-oxo-1-phenylethyl]benzamide
CID 94062874
2-[(1-methylpyrrol-3-yl)methylamino]-2-phenylacetic acid
CID 66398999
4-[(benzylamino)-carboxymethyl]benzoic acid
CID 10085320
(2R)-2-(benzylamino)-2-(4-methylphenyl)acetic acid
CID 10587129
2-[(3,5-difluoro-4-hydroxyphenyl)methylamino]-2-phenylacetic acid
CID 79883687
(2R)-2-(furan-3-carbonylamino)-2-phenylacetic acid
CID 30049473
3,3,3-trifluoro-N-(furan-3-ylmethyl)-1-phenylpropan-1-amine
CID 115607292
N-(furan-3-ylmethyl)-3,3-dimethyl-1-phenylbutan-1-amine
CID 63001796

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-ylmethylamino)-2-phenylacetic acid?
The IUPAC name of 2-(furan-3-ylmethylamino)-2-phenylacetic acid (CID 63204557) is 2-(furan-3-ylmethylamino)-2-phenylacetic acid.
What is the SMILES notation for 2-(furan-3-ylmethylamino)-2-phenylacetic acid?
The canonical SMILES for 2-(furan-3-ylmethylamino)-2-phenylacetic acid is O=C(O)C(NCc1ccoc1)c1ccccc1.
What is the InChIKey of 2-(furan-3-ylmethylamino)-2-phenylacetic acid?
The InChIKey is ZCNAKHGHKLEHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c15-13(16)12(11-4-2-1-3-5-11)14-8-10-6-7-17-9-10/h1-7,9,12,14H,8H2,(H,15,16).
What are the key properties of 2-(furan-3-ylmethylamino)-2-phenylacetic acid?
2-(furan-3-ylmethylamino)-2-phenylacetic acid has a molecular weight of 231.25 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-ylmethylamino)-2-phenylacetic acid is sourced from PubChem (CID 63204557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).