methyl (2R)-2-[3-(furan-2-carbonylamino)propanoylamino]-3-(4-hydroxyphenyl)propanoate

C18H20N2O6 — CID 9404731

IUPACmethyl (2R)-2-[3-(furan-2-carbonylamino)propanoylamino]-3-(4-hydroxyphenyl)propanoate
SMILESCOC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CCNC(=O)c1ccco1
InChIInChI=1S/C18H20N2O6/c1-25-18(24)14(11-12-4-6-13(21)7-5-12)20-16(22)8-9-19-17(23)15-3-2-10-26-15/h2-7,10,14,21H,8-9,11H2,1H3,(H,19,23)(H,20,22)/t14-/m1/s1
InChIKeyVUDSXPAITJWUHA-CQSZACIVSA-N
MW360.37 g/mol
LogP1.01
Rot. Bonds8

About methyl (2R)-2-[3-(furan-2-carbonylamino)propanoylamino]-3-(4-hydroxyphenyl)propanoate

methyl (2R)-2-[3-(furan-2-carbonylamino)propanoylamino]-3-(4-hydroxyphenyl)propanoate (PubChem CID 9404731) has the molecular formula C18H20N2O6 and a molecular weight of 360.37 g/mol. Its IUPAC name is methyl (2R)-2-[3-(furan-2-carbonylamino)propanoylamino]-3-(4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[3-(furan-2-carbonylamino)propanoylamino]-3-(4-hydroxyphenyl)propanoate
PubChem CID9404731
Molecular FormulaC18H20N2O6
Molecular Weight360.37 g/mol
Exact Mass360.13
IUPAC Namemethyl (2R)-2-[3-(furan-2-carbonylamino)propanoylamino]-3-(4-hydroxyphenyl)propanoate
SMILESCOC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CCNC(=O)c1ccco1
InChIInChI=1S/C18H20N2O6/c1-25-18(24)14(11-12-4-6-13(21)7-5-12)20-16(22)8-9-19-17(23)15-3-2-10-26-15/h2-7,10,14,21H,8-9,11H2,1H3,(H,19,23)(H,20,22)/t14-/m1/s1
InChIKeyVUDSXPAITJWUHA-CQSZACIVSA-N
XLogP1.01
TPSA117.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(furan-2-carbonylamino)propanoylamino]-4-methoxybutanoic acid
CID 62479824
2-[3-(furan-2-carbonylamino)propanoylamino]-4-methylpentanoic acid
CID 43092601
methyl 2-(3-benzylsulfanylpropanoylamino)-3-(4-hydroxyphenyl)propanoate
CID 174732959
methyl (2S)-2-[[3,5-bis[[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]benzoyl]amino]-3-(4-hydroxyphenyl)propanoate
CID 139041889
methyl 2-(7-aminoheptanoylamino)-3-(4-hydroxyphenyl)propanoate
CID 23453623
methyl 2-(dodecanoylamino)-3-(4-hydroxyphenyl)propanoate
CID 4502358
3-[3-(furan-2-carbonylamino)propanoylamino]butanoic acid
CID 43172663
methyl (2S)-2-(3-methoxypropanoylamino)-3-phenylpropanoate
CID 146266901
4-[3-(furan-2-carbonylamino)propanoylamino]-5-phenylpentanoic acid
CID 120547174
N-[3-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 43031477
methyl (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate;hydrate
CID 56777278
2-[3-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-3-phenylpropanamide
CID 70938229

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[3-(furan-2-carbonylamino)propanoylamino]-3-(4-hydroxyphenyl)propanoate?
The IUPAC name of methyl (2R)-2-[3-(furan-2-carbonylamino)propanoylamino]-3-(4-hydroxyphenyl)propanoate (CID 9404731) is methyl (2R)-2-[3-(furan-2-carbonylamino)propanoylamino]-3-(4-hydroxyphenyl)propanoate.
What is the SMILES notation for methyl (2R)-2-[3-(furan-2-carbonylamino)propanoylamino]-3-(4-hydroxyphenyl)propanoate?
The canonical SMILES for methyl (2R)-2-[3-(furan-2-carbonylamino)propanoylamino]-3-(4-hydroxyphenyl)propanoate is COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CCNC(=O)c1ccco1.
What is the InChIKey of methyl (2R)-2-[3-(furan-2-carbonylamino)propanoylamino]-3-(4-hydroxyphenyl)propanoate?
The InChIKey is VUDSXPAITJWUHA-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20N2O6/c1-25-18(24)14(11-12-4-6-13(21)7-5-12)20-16(22)8-9-19-17(23)15-3-2-10-26-15/h2-7,10,14,21H,8-9,11H2,1H3,(H,19,23)(H,20,22)/t14-/m1/s1.
What are the key properties of methyl (2R)-2-[3-(furan-2-carbonylamino)propanoylamino]-3-(4-hydroxyphenyl)propanoate?
methyl (2R)-2-[3-(furan-2-carbonylamino)propanoylamino]-3-(4-hydroxyphenyl)propanoate has a molecular weight of 360.37 g/mol, XLogP of 1.01, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[3-(furan-2-carbonylamino)propanoylamino]-3-(4-hydroxyphenyl)propanoate is sourced from PubChem (CID 9404731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).