(2R)-2-(2-chlorophenyl)-2-[3-(furan-2-yl)propanoylamino]acetic acid

C15H14ClNO4 — CID 107314642

IUPAC(2R)-2-(2-chlorophenyl)-2-[3-(furan-2-yl)propanoylamino]acetic acid
SMILESO=C(CCc1ccco1)N[C@@H](C(=O)O)c1ccccc1Cl
InChIInChI=1S/C15H14ClNO4/c16-12-6-2-1-5-11(12)14(15(19)20)17-13(18)8-7-10-4-3-9-21-10/h1-6,9,14H,7-8H2,(H,17,18)(H,19,20)/t14-/m1/s1
InChIKeyRZOZMEPELFUEKO-CQSZACIVSA-N
MW307.73 g/mol
LogP2.81
Rot. Bonds6

About (2R)-2-(2-chlorophenyl)-2-[3-(furan-2-yl)propanoylamino]acetic acid

(2R)-2-(2-chlorophenyl)-2-[3-(furan-2-yl)propanoylamino]acetic acid (PubChem CID 107314642) has the molecular formula C15H14ClNO4 and a molecular weight of 307.73 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenyl)-2-[3-(furan-2-yl)propanoylamino]acetic acid.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenyl)-2-[3-(furan-2-yl)propanoylamino]acetic acid
PubChem CID107314642
Molecular FormulaC15H14ClNO4
Molecular Weight307.73 g/mol
Exact Mass307.06
IUPAC Name(2R)-2-(2-chlorophenyl)-2-[3-(furan-2-yl)propanoylamino]acetic acid
SMILESO=C(CCc1ccco1)N[C@@H](C(=O)O)c1ccccc1Cl
InChIInChI=1S/C15H14ClNO4/c16-12-6-2-1-5-11(12)14(15(19)20)17-13(18)8-7-10-4-3-9-21-10/h1-6,9,14H,7-8H2,(H,17,18)(H,19,20)/t14-/m1/s1
InChIKeyRZOZMEPELFUEKO-CQSZACIVSA-N
XLogP2.81
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 3-(2-chlorophenyl)-3-[3-(furan-2-yl)propanoylamino]propanoate
CID 24603772
2-(2-chlorophenyl)-2-[[1-(furan-2-ylmethyl)piperidine-4-carbonyl]amino]acetic acid
CID 72862619
2-[3-(furan-2-yl)propanoylamino]-3-methylbutanoic acid
CID 43183392
3-[3-(furan-2-yl)propanoylamino]-2-methyl-3-phenylpropanoic acid
CID 119218976
2-(2-chlorophenyl)-2-(3-methylbutanoylamino)acetic acid
CID 82092999
2-(2-chlorophenyl)-2-[3-(4-methyl-1,3-thiazol-5-yl)propanoylamino]acetic acid
CID 72887014
3-(furan-2-yl)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 47097123
N-(1-bromo-3-phenylpropan-2-yl)-3-(furan-2-yl)propanamide
CID 114311183
(2S)-5-amino-2-[3-(furan-2-yl)propanoylamino]-5-oxopentanoic acid
CID 28779213
2-[3-(furan-2-yl)propanoylamino]-3-methylpentanoic acid
CID 43183434
(2R)-2-(2-chlorophenyl)-2-(3-methylpentanoylamino)acetic acid
CID 107314468
N-(2,3-dichlorophenyl)-3-(furan-2-yl)propanamide
CID 51158824

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenyl)-2-[3-(furan-2-yl)propanoylamino]acetic acid?
The IUPAC name of (2R)-2-(2-chlorophenyl)-2-[3-(furan-2-yl)propanoylamino]acetic acid (CID 107314642) is (2R)-2-(2-chlorophenyl)-2-[3-(furan-2-yl)propanoylamino]acetic acid.
What is the SMILES notation for (2R)-2-(2-chlorophenyl)-2-[3-(furan-2-yl)propanoylamino]acetic acid?
The canonical SMILES for (2R)-2-(2-chlorophenyl)-2-[3-(furan-2-yl)propanoylamino]acetic acid is O=C(CCc1ccco1)N[C@@H](C(=O)O)c1ccccc1Cl.
What is the InChIKey of (2R)-2-(2-chlorophenyl)-2-[3-(furan-2-yl)propanoylamino]acetic acid?
The InChIKey is RZOZMEPELFUEKO-CQSZACIVSA-N. The full InChI is InChI=1S/C15H14ClNO4/c16-12-6-2-1-5-11(12)14(15(19)20)17-13(18)8-7-10-4-3-9-21-10/h1-6,9,14H,7-8H2,(H,17,18)(H,19,20)/t14-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenyl)-2-[3-(furan-2-yl)propanoylamino]acetic acid?
(2R)-2-(2-chlorophenyl)-2-[3-(furan-2-yl)propanoylamino]acetic acid has a molecular weight of 307.73 g/mol, XLogP of 2.81, 6 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-[3-(furan-2-yl)propanoylamino]acetic acid is sourced from PubChem (CID 107314642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).