2-[[3-(furan-2-carbonylamino)propanoylamino]methyl]-3-(3-methylphenyl)propanoic acid

C19H22N2O5 — CID 119243012

IUPAC2-[[3-(furan-2-carbonylamino)propanoylamino]methyl]-3-(3-methylphenyl)propanoic acid
SMILESCc1cccc(CC(CNC(=O)CCNC(=O)c2ccco2)C(=O)O)c1
InChIInChI=1S/C19H22N2O5/c1-13-4-2-5-14(10-13)11-15(19(24)25)12-21-17(22)7-8-20-18(23)16-6-3-9-26-16/h2-6,9-10,15H,7-8,11-12H2,1H3,(H,20,23)(H,21,22)(H,24,25)
InChIKeyALJFFCNVSJFMQQ-UHFFFAOYSA-N
MW358.39 g/mol
LogP1.77
Rot. Bonds9

About 2-[[3-(furan-2-carbonylamino)propanoylamino]methyl]-3-(3-methylphenyl)propanoic acid

2-[[3-(furan-2-carbonylamino)propanoylamino]methyl]-3-(3-methylphenyl)propanoic acid (PubChem CID 119243012) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is 2-[[3-(furan-2-carbonylamino)propanoylamino]methyl]-3-(3-methylphenyl)propanoic acid.

Molecular Properties

Compound Name2-[[3-(furan-2-carbonylamino)propanoylamino]methyl]-3-(3-methylphenyl)propanoic acid
PubChem CID119243012
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name2-[[3-(furan-2-carbonylamino)propanoylamino]methyl]-3-(3-methylphenyl)propanoic acid
SMILESCc1cccc(CC(CNC(=O)CCNC(=O)c2ccco2)C(=O)O)c1
InChIInChI=1S/C19H22N2O5/c1-13-4-2-5-14(10-13)11-15(19(24)25)12-21-17(22)7-8-20-18(23)16-6-3-9-26-16/h2-6,9-10,15H,7-8,11-12H2,1H3,(H,20,23)(H,21,22)(H,24,25)
InChIKeyALJFFCNVSJFMQQ-UHFFFAOYSA-N
XLogP1.77
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methylpentanoylamino)methyl]-3-(3-methylphenyl)propanoic acid
CID 119242773
(2S)-3-[3-(furan-2-carbonylamino)propanoylamino]-2-hydroxypropanoic acid
CID 107833526
2-[(3-cyclopropylpropanoylamino)methyl]-3-(3-methylphenyl)propanoic acid
CID 119243317
2-[(3-methylphenyl)methyl]-3-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]propanoic acid
CID 119242760
(2S)-2-[(3-methylphenyl)methyl]-3-[3-(oxan-4-yl)propanoylamino]propanoic acid
CID 97324615
N-[3-(2-ethylbutylamino)-3-oxopropyl]furan-2-carboxamide
CID 115612648
2-[[(2-benzamidoacetyl)amino]methyl]-3-(3-methylphenyl)propanoic acid
CID 119243253
2-[[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]methyl]-3-(3-methylphenyl)propanoic acid
CID 119242971
2-[[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]methyl]-3-(3-methylphenyl)propanoic acid
CID 119243032
2-[(3-methylphenyl)methyl]-3-(4-phenoxybutanoylamino)propanoic acid
CID 119243175
(2R)-2-[(3-methylphenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 25417736
2-[[3-(5-methyloxolan-2-yl)propanoylamino]methyl]-3-(3-methylphenyl)propanoic acid
CID 119243156

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(furan-2-carbonylamino)propanoylamino]methyl]-3-(3-methylphenyl)propanoic acid?
The IUPAC name of 2-[[3-(furan-2-carbonylamino)propanoylamino]methyl]-3-(3-methylphenyl)propanoic acid (CID 119243012) is 2-[[3-(furan-2-carbonylamino)propanoylamino]methyl]-3-(3-methylphenyl)propanoic acid.
What is the SMILES notation for 2-[[3-(furan-2-carbonylamino)propanoylamino]methyl]-3-(3-methylphenyl)propanoic acid?
The canonical SMILES for 2-[[3-(furan-2-carbonylamino)propanoylamino]methyl]-3-(3-methylphenyl)propanoic acid is Cc1cccc(CC(CNC(=O)CCNC(=O)c2ccco2)C(=O)O)c1.
What is the InChIKey of 2-[[3-(furan-2-carbonylamino)propanoylamino]methyl]-3-(3-methylphenyl)propanoic acid?
The InChIKey is ALJFFCNVSJFMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-13-4-2-5-14(10-13)11-15(19(24)25)12-21-17(22)7-8-20-18(23)16-6-3-9-26-16/h2-6,9-10,15H,7-8,11-12H2,1H3,(H,20,23)(H,21,22)(H,24,25).
What are the key properties of 2-[[3-(furan-2-carbonylamino)propanoylamino]methyl]-3-(3-methylphenyl)propanoic acid?
2-[[3-(furan-2-carbonylamino)propanoylamino]methyl]-3-(3-methylphenyl)propanoic acid has a molecular weight of 358.39 g/mol, XLogP of 1.77, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(furan-2-carbonylamino)propanoylamino]methyl]-3-(3-methylphenyl)propanoic acid is sourced from PubChem (CID 119243012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).