(2R)-2-(2-chlorophenyl)-2-[(2,5-dimethylfuran-3-carbonyl)amino]acetic acid

C15H14ClNO4 — CID 107314250

IUPAC(2R)-2-(2-chlorophenyl)-2-[(2,5-dimethylfuran-3-carbonyl)amino]acetic acid
SMILESCc1cc(C(=O)N[C@@H](C(=O)O)c2ccccc2Cl)c(C)o1
InChIInChI=1S/C15H14ClNO4/c1-8-7-11(9(2)21-8)14(18)17-13(15(19)20)10-5-3-4-6-12(10)16/h3-7,13H,1-2H3,(H,17,18)(H,19,20)/t13-/m1/s1
InChIKeyPJEVCPNOYJBACJ-CYBMUJFWSA-N
MW307.73 g/mol
LogP3.11
Rot. Bonds4

About (2R)-2-(2-chlorophenyl)-2-[(2,5-dimethylfuran-3-carbonyl)amino]acetic acid

(2R)-2-(2-chlorophenyl)-2-[(2,5-dimethylfuran-3-carbonyl)amino]acetic acid (PubChem CID 107314250) has the molecular formula C15H14ClNO4 and a molecular weight of 307.73 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenyl)-2-[(2,5-dimethylfuran-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenyl)-2-[(2,5-dimethylfuran-3-carbonyl)amino]acetic acid
PubChem CID107314250
Molecular FormulaC15H14ClNO4
Molecular Weight307.73 g/mol
Exact Mass307.06
IUPAC Name(2R)-2-(2-chlorophenyl)-2-[(2,5-dimethylfuran-3-carbonyl)amino]acetic acid
SMILESCc1cc(C(=O)N[C@@H](C(=O)O)c2ccccc2Cl)c(C)o1
InChIInChI=1S/C15H14ClNO4/c1-8-7-11(9(2)21-8)14(18)17-13(15(19)20)10-5-3-4-6-12(10)16/h3-7,13H,1-2H3,(H,17,18)(H,19,20)/t13-/m1/s1
InChIKeyPJEVCPNOYJBACJ-CYBMUJFWSA-N
XLogP3.11
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2-chlorophenyl)-2-[(5-methylfuran-3-carbonyl)amino]acetic acid
CID 107314767
propan-2-yl 3-(2-chlorophenyl)-3-[(2,5-dimethylfuran-3-carbonyl)amino]propanoate
CID 18274407
(2R)-2-(2-chlorophenyl)-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]acetic acid
CID 107314362
(2R)-2-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetic acid
CID 107314790
(2R)-2-(2-chlorophenyl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid
CID 107314389
(2R)-2-(2-chlorophenyl)-2-[(3-hydroxypyridine-4-carbonyl)amino]acetic acid
CID 107314458
N-[1-(2-aminophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 43297842
(2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-3-phenylpropanoic acid
CID 801853
N-[1-(2,4-dichlorophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 4876390
(2R)-2-(2-chlorophenyl)-2-(methylamino)acetic acid
CID 51886753
[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 7844560
(2R)-2-[(4-aminobenzoyl)amino]-2-(2-chlorophenyl)acetic acid
CID 107315149

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenyl)-2-[(2,5-dimethylfuran-3-carbonyl)amino]acetic acid?
The IUPAC name of (2R)-2-(2-chlorophenyl)-2-[(2,5-dimethylfuran-3-carbonyl)amino]acetic acid (CID 107314250) is (2R)-2-(2-chlorophenyl)-2-[(2,5-dimethylfuran-3-carbonyl)amino]acetic acid.
What is the SMILES notation for (2R)-2-(2-chlorophenyl)-2-[(2,5-dimethylfuran-3-carbonyl)amino]acetic acid?
The canonical SMILES for (2R)-2-(2-chlorophenyl)-2-[(2,5-dimethylfuran-3-carbonyl)amino]acetic acid is Cc1cc(C(=O)N[C@@H](C(=O)O)c2ccccc2Cl)c(C)o1.
What is the InChIKey of (2R)-2-(2-chlorophenyl)-2-[(2,5-dimethylfuran-3-carbonyl)amino]acetic acid?
The InChIKey is PJEVCPNOYJBACJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H14ClNO4/c1-8-7-11(9(2)21-8)14(18)17-13(15(19)20)10-5-3-4-6-12(10)16/h3-7,13H,1-2H3,(H,17,18)(H,19,20)/t13-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenyl)-2-[(2,5-dimethylfuran-3-carbonyl)amino]acetic acid?
(2R)-2-(2-chlorophenyl)-2-[(2,5-dimethylfuran-3-carbonyl)amino]acetic acid has a molecular weight of 307.73 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenyl)-2-[(2,5-dimethylfuran-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 107314250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).