2-[[5-(furan-2-carbonylamino)-2-methoxyphenyl]carbamoylamino]propanoic acid

C16H17N3O6 — CID 4905370

IUPAC2-[[5-(furan-2-carbonylamino)-2-methoxyphenyl]carbamoylamino]propanoic acid
SMILESCOc1ccc(NC(=O)c2ccco2)cc1NC(=O)NC(C)C(=O)O
InChIInChI=1S/C16H17N3O6/c1-9(15(21)22)17-16(23)19-11-8-10(5-6-12(11)24-2)18-14(20)13-4-3-7-25-13/h3-9H,1-2H3,(H,18,20)(H,21,22)(H2,17,19,23)
InChIKeyZQLYGDRBYNPKER-UHFFFAOYSA-N
MW347.33 g/mol
LogP2.14
Rot. Bonds6

About 2-[[5-(furan-2-carbonylamino)-2-methoxyphenyl]carbamoylamino]propanoic acid

2-[[5-(furan-2-carbonylamino)-2-methoxyphenyl]carbamoylamino]propanoic acid (PubChem CID 4905370) has the molecular formula C16H17N3O6 and a molecular weight of 347.33 g/mol. Its IUPAC name is 2-[[5-(furan-2-carbonylamino)-2-methoxyphenyl]carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-[[5-(furan-2-carbonylamino)-2-methoxyphenyl]carbamoylamino]propanoic acid
PubChem CID4905370
Molecular FormulaC16H17N3O6
Molecular Weight347.33 g/mol
Exact Mass347.11
IUPAC Name2-[[5-(furan-2-carbonylamino)-2-methoxyphenyl]carbamoylamino]propanoic acid
SMILESCOc1ccc(NC(=O)c2ccco2)cc1NC(=O)NC(C)C(=O)O
InChIInChI=1S/C16H17N3O6/c1-9(15(21)22)17-16(23)19-11-8-10(5-6-12(11)24-2)18-14(20)13-4-3-7-25-13/h3-9H,1-2H3,(H,18,20)(H,21,22)(H2,17,19,23)
InChIKeyZQLYGDRBYNPKER-UHFFFAOYSA-N
XLogP2.14
TPSA129.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 52.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxy-4-methoxyphenyl)furan-2-carboxamide
CID 56690057
N-(4-methoxy-3-propan-2-ylphenyl)furan-2-carboxamide
CID 110776754
N-[4-methoxy-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 655668
N-(2-methoxy-5-propan-2-ylphenyl)furan-2-carboxamide
CID 110776781
N-[5-(2,3-dihydroxypropylamino)-2-methoxyphenyl]furan-2-carboxamide
CID 168593134
N-(3-ethyl-4-methoxyphenyl)furan-2-carboxamide
CID 110777193
N-[3-[(3-bromo-4-methoxybenzoyl)carbamothioylamino]-4-methoxyphenyl]furan-2-carboxamide
CID 3913489
N-[3-[(4-bromobenzoyl)carbamothioylamino]-4-methoxyphenyl]furan-2-carboxamide
CID 5091898
(2S)-2-(furan-2-carbonylamino)propanoic acid
CID 792932
N-[3-[[2-(4-bromophenoxy)-2-methylpropanoyl]amino]-4-methoxyphenyl]furan-2-carboxamide
CID 30309281
N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-4-methoxyphenyl]furan-2-carboxamide
CID 1091667
N-[3-[(3-chloro-4-methoxybenzoyl)carbamothioylamino]-4-methoxyphenyl]furan-2-carboxamide
CID 3676209

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(furan-2-carbonylamino)-2-methoxyphenyl]carbamoylamino]propanoic acid?
The IUPAC name of 2-[[5-(furan-2-carbonylamino)-2-methoxyphenyl]carbamoylamino]propanoic acid (CID 4905370) is 2-[[5-(furan-2-carbonylamino)-2-methoxyphenyl]carbamoylamino]propanoic acid.
What is the SMILES notation for 2-[[5-(furan-2-carbonylamino)-2-methoxyphenyl]carbamoylamino]propanoic acid?
The canonical SMILES for 2-[[5-(furan-2-carbonylamino)-2-methoxyphenyl]carbamoylamino]propanoic acid is COc1ccc(NC(=O)c2ccco2)cc1NC(=O)NC(C)C(=O)O.
What is the InChIKey of 2-[[5-(furan-2-carbonylamino)-2-methoxyphenyl]carbamoylamino]propanoic acid?
The InChIKey is ZQLYGDRBYNPKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O6/c1-9(15(21)22)17-16(23)19-11-8-10(5-6-12(11)24-2)18-14(20)13-4-3-7-25-13/h3-9H,1-2H3,(H,18,20)(H,21,22)(H2,17,19,23).
What are the key properties of 2-[[5-(furan-2-carbonylamino)-2-methoxyphenyl]carbamoylamino]propanoic acid?
2-[[5-(furan-2-carbonylamino)-2-methoxyphenyl]carbamoylamino]propanoic acid has a molecular weight of 347.33 g/mol, XLogP of 2.14, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(furan-2-carbonylamino)-2-methoxyphenyl]carbamoylamino]propanoic acid is sourced from PubChem (CID 4905370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).