(2S)-2-(3-methoxyphenyl)-2-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]acetic acid

C20H21NO5 — CID 178099809

IUPAC(2S)-2-(3-methoxyphenyl)-2-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]acetic acid
SMILESCOc1ccc(C2(C(=O)N[C@H](C(=O)O)c3cccc(OC)c3)CC2)cc1
InChIInChI=1S/C20H21NO5/c1-25-15-8-6-14(7-9-15)20(10-11-20)19(24)21-17(18(22)23)13-4-3-5-16(12-13)26-2/h3-9,12,17H,10-11H2,1-2H3,(H,21,24)(H,22,23)/t17-/m0/s1
InChIKeyICZGTYPPYQBOEG-KRWDZBQOSA-N
MW355.39 g/mol
LogP2.68
Rot. Bonds7

About (2S)-2-(3-methoxyphenyl)-2-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]acetic acid

(2S)-2-(3-methoxyphenyl)-2-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]acetic acid (PubChem CID 178099809) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is (2S)-2-(3-methoxyphenyl)-2-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]acetic acid.

Molecular Properties

Compound Name(2S)-2-(3-methoxyphenyl)-2-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]acetic acid
PubChem CID178099809
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name(2S)-2-(3-methoxyphenyl)-2-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]acetic acid
SMILESCOc1ccc(C2(C(=O)N[C@H](C(=O)O)c3cccc(OC)c3)CC2)cc1
InChIInChI=1S/C20H21NO5/c1-25-15-8-6-14(7-9-15)20(10-11-20)19(24)21-17(18(22)23)13-4-3-5-16(12-13)26-2/h3-9,12,17H,10-11H2,1-2H3,(H,21,24)(H,22,23)/t17-/m0/s1
InChIKeyICZGTYPPYQBOEG-KRWDZBQOSA-N
XLogP2.68
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(3-methoxyphenyl)-2-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]acetic acid with MolForge

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Related Compounds

2-(methoxycarbonylamino)-2-(3-methoxyphenyl)acetic acid
CID 22707097
1-(4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 53016794
2-(2,3-dihydro-1H-indene-4-carbonylamino)-2-(3-methoxyphenyl)acetic acid
CID 136552069
2-(butanoylamino)-2-(3-methoxyphenyl)acetic acid
CID 112508886
2-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]propanoic acid
CID 119225858
1-(4-methoxyphenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide
CID 56645217
N-[1-(4-methoxyphenyl)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 110437540
1-(4-ethoxyphenyl)-N-[2-(methylamino)-2-oxo-1-phenylethyl]cyclopropane-1-carboxamide
CID 178099713
N-[(3-hydroxycyclobutyl)-phenylmethyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 91762982
1-(4-methoxyphenyl)-N'-methylcyclopropane-1-carbohydrazide
CID 116847276
2-[2-(dimethylamino)ethylamino]-2-(3-methoxyphenyl)acetic acid
CID 54894700
2-(cyclohexylamino)-2-(3-methoxyphenyl)acetic acid
CID 54892787

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methoxyphenyl)-2-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]acetic acid?
The IUPAC name of (2S)-2-(3-methoxyphenyl)-2-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]acetic acid (CID 178099809) is (2S)-2-(3-methoxyphenyl)-2-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]acetic acid.
What is the SMILES notation for (2S)-2-(3-methoxyphenyl)-2-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]acetic acid?
The canonical SMILES for (2S)-2-(3-methoxyphenyl)-2-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]acetic acid is COc1ccc(C2(C(=O)N[C@H](C(=O)O)c3cccc(OC)c3)CC2)cc1.
What is the InChIKey of (2S)-2-(3-methoxyphenyl)-2-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]acetic acid?
The InChIKey is ICZGTYPPYQBOEG-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H21NO5/c1-25-15-8-6-14(7-9-15)20(10-11-20)19(24)21-17(18(22)23)13-4-3-5-16(12-13)26-2/h3-9,12,17H,10-11H2,1-2H3,(H,21,24)(H,22,23)/t17-/m0/s1.
What are the key properties of (2S)-2-(3-methoxyphenyl)-2-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]acetic acid?
(2S)-2-(3-methoxyphenyl)-2-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]acetic acid has a molecular weight of 355.39 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methoxyphenyl)-2-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]acetic acid is sourced from PubChem (CID 178099809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).