(3R)-3-(3-bromophenyl)-3-[(3-methylfuran-2-carbonyl)amino]propanoic acid

C15H14BrNO4 — CID 97233805

IUPAC(3R)-3-(3-bromophenyl)-3-[(3-methylfuran-2-carbonyl)amino]propanoic acid
SMILESCc1ccoc1C(=O)N[C@H](CC(=O)O)c1cccc(Br)c1
InChIInChI=1S/C15H14BrNO4/c1-9-5-6-21-14(9)15(20)17-12(8-13(18)19)10-3-2-4-11(16)7-10/h2-7,12H,8H2,1H3,(H,17,20)(H,18,19)/t12-/m1/s1
InChIKeySAIOHMSHAPMMCN-GFCCVEGCSA-N
MW352.18 g/mol
LogP3.30
Rot. Bonds5

About (3R)-3-(3-bromophenyl)-3-[(3-methylfuran-2-carbonyl)amino]propanoic acid

(3R)-3-(3-bromophenyl)-3-[(3-methylfuran-2-carbonyl)amino]propanoic acid (PubChem CID 97233805) has the molecular formula C15H14BrNO4 and a molecular weight of 352.18 g/mol. Its IUPAC name is (3R)-3-(3-bromophenyl)-3-[(3-methylfuran-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(3R)-3-(3-bromophenyl)-3-[(3-methylfuran-2-carbonyl)amino]propanoic acid
PubChem CID97233805
Molecular FormulaC15H14BrNO4
Molecular Weight352.18 g/mol
Exact Mass351.01
IUPAC Name(3R)-3-(3-bromophenyl)-3-[(3-methylfuran-2-carbonyl)amino]propanoic acid
SMILESCc1ccoc1C(=O)N[C@H](CC(=O)O)c1cccc(Br)c1
InChIInChI=1S/C15H14BrNO4/c1-9-5-6-21-14(9)15(20)17-12(8-13(18)19)10-3-2-4-11(16)7-10/h2-7,12H,8H2,1H3,(H,17,20)(H,18,19)/t12-/m1/s1
InChIKeySAIOHMSHAPMMCN-GFCCVEGCSA-N
XLogP3.30
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-3-[(3-methylfuran-2-carbonyl)amino]propanoic acid
CID 84583373
(3S)-3-[(3-methylfuran-2-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 99851595
3-methyl-N-(3-methyl-1-phenylbutyl)furan-2-carboxamide
CID 43054971
(3S)-3-(3-bromophenyl)-3-(pyridine-4-carbonylamino)propanoic acid
CID 97324068
3-(3-bromophenyl)-3-(3-methoxypropanoylamino)propanoic acid
CID 119192481
3-(3-bromophenyl)-3-[(2-phenylacetyl)amino]propanoic acid
CID 53416015
3-(3-bromophenyl)-3-[(6-methyl-1H-indole-2-carbonyl)amino]propanoic acid
CID 119192479
(3R)-3-(3-bromophenyl)-3-[(6-methyl-1H-indole-2-carbonyl)amino]propanoic acid
CID 124699211
3-(3-bromophenyl)-3-[(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid
CID 119192517
3-methyl-N-[(1S)-2-(2-oxo-1-pyridinyl)-1-phenylethyl]furan-2-carboxamide
CID 124847738
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-3-methylfuran-2-carboxamide
CID 95197180
(3R)-3-(3-bromophenyl)-3-[(2-thiophen-2-ylacetyl)amino]propanoic acid
CID 100633806

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-bromophenyl)-3-[(3-methylfuran-2-carbonyl)amino]propanoic acid?
The IUPAC name of (3R)-3-(3-bromophenyl)-3-[(3-methylfuran-2-carbonyl)amino]propanoic acid (CID 97233805) is (3R)-3-(3-bromophenyl)-3-[(3-methylfuran-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for (3R)-3-(3-bromophenyl)-3-[(3-methylfuran-2-carbonyl)amino]propanoic acid?
The canonical SMILES for (3R)-3-(3-bromophenyl)-3-[(3-methylfuran-2-carbonyl)amino]propanoic acid is Cc1ccoc1C(=O)N[C@H](CC(=O)O)c1cccc(Br)c1.
What is the InChIKey of (3R)-3-(3-bromophenyl)-3-[(3-methylfuran-2-carbonyl)amino]propanoic acid?
The InChIKey is SAIOHMSHAPMMCN-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H14BrNO4/c1-9-5-6-21-14(9)15(20)17-12(8-13(18)19)10-3-2-4-11(16)7-10/h2-7,12H,8H2,1H3,(H,17,20)(H,18,19)/t12-/m1/s1.
What are the key properties of (3R)-3-(3-bromophenyl)-3-[(3-methylfuran-2-carbonyl)amino]propanoic acid?
(3R)-3-(3-bromophenyl)-3-[(3-methylfuran-2-carbonyl)amino]propanoic acid has a molecular weight of 352.18 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-bromophenyl)-3-[(3-methylfuran-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 97233805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).