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

C14H12ClNO4 — CID 107314767

IUPAC(2R)-2-(2-chlorophenyl)-2-[(5-methylfuran-3-carbonyl)amino]acetic acid
SMILESCc1cc(C(=O)N[C@@H](C(=O)O)c2ccccc2Cl)co1
InChIInChI=1S/C14H12ClNO4/c1-8-6-9(7-20-8)13(17)16-12(14(18)19)10-4-2-3-5-11(10)15/h2-7,12H,1H3,(H,16,17)(H,18,19)/t12-/m1/s1
InChIKeySHCZLXNUWVPIEJ-GFCCVEGCSA-N
MW293.71 g/mol
LogP2.80
Rot. Bonds4

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

(2R)-2-(2-chlorophenyl)-2-[(5-methylfuran-3-carbonyl)amino]acetic acid (PubChem CID 107314767) has the molecular formula C14H12ClNO4 and a molecular weight of 293.71 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenyl)-2-[(5-methylfuran-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenyl)-2-[(5-methylfuran-3-carbonyl)amino]acetic acid
PubChem CID107314767
Molecular FormulaC14H12ClNO4
Molecular Weight293.71 g/mol
Exact Mass293.05
IUPAC Name(2R)-2-(2-chlorophenyl)-2-[(5-methylfuran-3-carbonyl)amino]acetic acid
SMILESCc1cc(C(=O)N[C@@H](C(=O)O)c2ccccc2Cl)co1
InChIInChI=1S/C14H12ClNO4/c1-8-6-9(7-20-8)13(17)16-12(14(18)19)10-4-2-3-5-11(10)15/h2-7,12H,1H3,(H,16,17)(H,18,19)/t12-/m1/s1
InChIKeySHCZLXNUWVPIEJ-GFCCVEGCSA-N
XLogP2.80
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2-chlorophenyl)-2-[(2,5-dimethylfuran-3-carbonyl)amino]acetic acid
CID 107314250
(2R)-2-[(4-aminobenzoyl)amino]-2-(2-chlorophenyl)acetic acid
CID 107315149
(2R)-2-(2-chlorophenyl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid
CID 107314389
(2R)-2-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetic acid
CID 107314790
(2R)-2-(2-chlorophenyl)-2-(methylamino)acetic acid
CID 51886753
2-benzamido-2-(2-methylphenyl)acetic acid
CID 82092810
(2R)-2-(2-chlorophenyl)-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]acetic acid
CID 107314362
(2R)-2-(2-chlorophenyl)-2-[(2-methylcyclopropanecarbonyl)amino]acetic acid
CID 107314543
(2R)-3-methyl-2-[(5-methylfuran-3-carbonyl)amino]butanoic acid
CID 1273432
2-(2-chlorophenyl)-2-(3-methylbutanoylamino)acetic acid
CID 82092999
(2R)-2-amino-2-(2-chlorophenyl)acetic acid;(2R)-2-(2-chlorophenyl)-2-(methoxycarbonylamino)acetic acid
CID 159886454
N-(2-amino-1-phenylethyl)-5-methylfuran-3-carboxamide
CID 114823481

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenyl)-2-[(5-methylfuran-3-carbonyl)amino]acetic acid?
The IUPAC name of (2R)-2-(2-chlorophenyl)-2-[(5-methylfuran-3-carbonyl)amino]acetic acid (CID 107314767) is (2R)-2-(2-chlorophenyl)-2-[(5-methylfuran-3-carbonyl)amino]acetic acid.
What is the SMILES notation for (2R)-2-(2-chlorophenyl)-2-[(5-methylfuran-3-carbonyl)amino]acetic acid?
The canonical SMILES for (2R)-2-(2-chlorophenyl)-2-[(5-methylfuran-3-carbonyl)amino]acetic acid is Cc1cc(C(=O)N[C@@H](C(=O)O)c2ccccc2Cl)co1.
What is the InChIKey of (2R)-2-(2-chlorophenyl)-2-[(5-methylfuran-3-carbonyl)amino]acetic acid?
The InChIKey is SHCZLXNUWVPIEJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H12ClNO4/c1-8-6-9(7-20-8)13(17)16-12(14(18)19)10-4-2-3-5-11(10)15/h2-7,12H,1H3,(H,16,17)(H,18,19)/t12-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenyl)-2-[(5-methylfuran-3-carbonyl)amino]acetic acid?
(2R)-2-(2-chlorophenyl)-2-[(5-methylfuran-3-carbonyl)amino]acetic acid has a molecular weight of 293.71 g/mol, XLogP of 2.80, 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-[(5-methylfuran-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 107314767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).