(2R)-3-(6,7-dihydronaphthalen-2-yl)-2-[[5-(4-methoxyphenyl)-2-methylfuran-3-carbonyl]amino]propanoic acid

C26H25NO5 — CID 154986790

IUPAC(2R)-3-(6,7-dihydronaphthalen-2-yl)-2-[[5-(4-methoxyphenyl)-2-methylfuran-3-carbonyl]amino]propanoic acid
SMILESCOc1ccc(-c2cc(C(=O)N[C@H](Cc3ccc4c(c3)=CCCC=4)C(=O)O)c(C)o2)cc1
InChIInChI=1S/C26H25NO5/c1-16-22(15-24(32-16)19-9-11-21(31-2)12-10-19)25(28)27-23(26(29)30)14-17-7-8-18-5-3-4-6-20(18)13-17/h5-13,15,23H,3-4,14H2,1-2H3,(H,27,28)(H,29,30)/t23-/m1/s1
InChIKeyTWYSHSBOGHJVKZ-HSZRJFAPSA-N
MW431.49 g/mol
LogP3.04
Rot. Bonds7

About (2R)-3-(6,7-dihydronaphthalen-2-yl)-2-[[5-(4-methoxyphenyl)-2-methylfuran-3-carbonyl]amino]propanoic acid

(2R)-3-(6,7-dihydronaphthalen-2-yl)-2-[[5-(4-methoxyphenyl)-2-methylfuran-3-carbonyl]amino]propanoic acid (PubChem CID 154986790) has the molecular formula C26H25NO5 and a molecular weight of 431.49 g/mol. Its IUPAC name is (2R)-3-(6,7-dihydronaphthalen-2-yl)-2-[[5-(4-methoxyphenyl)-2-methylfuran-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-(6,7-dihydronaphthalen-2-yl)-2-[[5-(4-methoxyphenyl)-2-methylfuran-3-carbonyl]amino]propanoic acid
PubChem CID154986790
Molecular FormulaC26H25NO5
Molecular Weight431.49 g/mol
Exact Mass431.17
IUPAC Name(2R)-3-(6,7-dihydronaphthalen-2-yl)-2-[[5-(4-methoxyphenyl)-2-methylfuran-3-carbonyl]amino]propanoic acid
SMILESCOc1ccc(-c2cc(C(=O)N[C@H](Cc3ccc4c(c3)=CCCC=4)C(=O)O)c(C)o2)cc1
InChIInChI=1S/C26H25NO5/c1-16-22(15-24(32-16)19-9-11-21(31-2)12-10-19)25(28)27-23(26(29)30)14-17-7-8-18-5-3-4-6-20(18)13-17/h5-13,15,23H,3-4,14H2,1-2H3,(H,27,28)(H,29,30)/t23-/m1/s1
InChIKeyTWYSHSBOGHJVKZ-HSZRJFAPSA-N
XLogP3.04
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-3-(6,7-dihydronaphthalen-2-yl)-2-[[5-(4-methoxyphenyl)-2-methylfuran-3-carbonyl]amino]propanoic acid with MolForge

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Related Compounds

(2R)-2-[[5-(4-methoxyphenyl)-2-methylfuran-3-carbonyl]amino]-3-naphthalen-2-ylpropanoic acid
CID 46191374
(2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-3-phenylpropanoic acid
CID 801853
2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]-3-(4-pyridin-4-ylphenyl)propanoic acid
CID 70651710
3-[4-(4-cyanophenyl)phenyl]-2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 70651715
3-[4-[2-carboxy-2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]ethyl]phenyl]benzoic acid
CID 70651777
(2S)-2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]-3-[4-(2-methoxyphenyl)phenyl]propanoic acid
CID 70651836
3-[4-[3-(dimethylcarbamoyl)phenyl]phenyl]-2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 70651763
(2S)-3-[4-(3-carbamoylphenyl)phenyl]-2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 70652418
(2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoic acid
CID 919358
(2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-methoxyphenyl)propanoic acid
CID 139663590
(2S)-3-[3-(4-methoxyphenyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 154815453
(2S)-3-(4-cyanophenyl)-2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 70652438

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(6,7-dihydronaphthalen-2-yl)-2-[[5-(4-methoxyphenyl)-2-methylfuran-3-carbonyl]amino]propanoic acid?
The IUPAC name of (2R)-3-(6,7-dihydronaphthalen-2-yl)-2-[[5-(4-methoxyphenyl)-2-methylfuran-3-carbonyl]amino]propanoic acid (CID 154986790) is (2R)-3-(6,7-dihydronaphthalen-2-yl)-2-[[5-(4-methoxyphenyl)-2-methylfuran-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2R)-3-(6,7-dihydronaphthalen-2-yl)-2-[[5-(4-methoxyphenyl)-2-methylfuran-3-carbonyl]amino]propanoic acid?
The canonical SMILES for (2R)-3-(6,7-dihydronaphthalen-2-yl)-2-[[5-(4-methoxyphenyl)-2-methylfuran-3-carbonyl]amino]propanoic acid is COc1ccc(-c2cc(C(=O)N[C@H](Cc3ccc4c(c3)=CCCC=4)C(=O)O)c(C)o2)cc1.
What is the InChIKey of (2R)-3-(6,7-dihydronaphthalen-2-yl)-2-[[5-(4-methoxyphenyl)-2-methylfuran-3-carbonyl]amino]propanoic acid?
The InChIKey is TWYSHSBOGHJVKZ-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H25NO5/c1-16-22(15-24(32-16)19-9-11-21(31-2)12-10-19)25(28)27-23(26(29)30)14-17-7-8-18-5-3-4-6-20(18)13-17/h5-13,15,23H,3-4,14H2,1-2H3,(H,27,28)(H,29,30)/t23-/m1/s1.
What are the key properties of (2R)-3-(6,7-dihydronaphthalen-2-yl)-2-[[5-(4-methoxyphenyl)-2-methylfuran-3-carbonyl]amino]propanoic acid?
(2R)-3-(6,7-dihydronaphthalen-2-yl)-2-[[5-(4-methoxyphenyl)-2-methylfuran-3-carbonyl]amino]propanoic acid has a molecular weight of 431.49 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(6,7-dihydronaphthalen-2-yl)-2-[[5-(4-methoxyphenyl)-2-methylfuran-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 154986790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).