(2R)-3-(4-hydroxyphenyl)-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid

C15H15NO5 — CID 30051960

IUPAC(2R)-3-(4-hydroxyphenyl)-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
SMILESCc1occc1C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C15H15NO5/c1-9-12(6-7-21-9)14(18)16-13(15(19)20)8-10-2-4-11(17)5-3-10/h2-7,13,17H,8H2,1H3,(H,16,18)(H,19,20)/t13-/m1/s1
InChIKeyKHBMKXCSRWQEIY-CYBMUJFWSA-N
MW289.29 g/mol
LogP1.72
Rot. Bonds5

About (2R)-3-(4-hydroxyphenyl)-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid

(2R)-3-(4-hydroxyphenyl)-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid (PubChem CID 30051960) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is (2R)-3-(4-hydroxyphenyl)-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-(4-hydroxyphenyl)-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
PubChem CID30051960
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name(2R)-3-(4-hydroxyphenyl)-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
SMILESCc1occc1C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C15H15NO5/c1-9-12(6-7-21-9)14(18)16-13(15(19)20)8-10-2-4-11(17)5-3-10/h2-7,13,17H,8H2,1H3,(H,16,18)(H,19,20)/t13-/m1/s1
InChIKeyKHBMKXCSRWQEIY-CYBMUJFWSA-N
XLogP1.72
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-hydroxyphenyl)-2-[(3-methylfuran-2-carbonyl)amino]propanoic acid
CID 16771699
3-methoxy-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 81077472
2-[[4-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl]benzoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 3417680
5-methoxy-2-[(2-methylfuran-3-carbonyl)amino]-5-oxopentanoic acid
CID 82786310
5-methoxy-2-[(2-methylfuran-3-carbonyl)amino]pentanoic acid
CID 81076834
(2R)-2-benzamido-3-(4-hydroxyphenyl)propanoic acid
CID 784806
bis(2-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl]benzoic acid);ethane-1,1-diamine
CID 70569560
3-(4-hydroxyphenyl)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
CID 43209778
(2S)-2-[(5-acetamido-2-chlorobenzoyl)amino]-3-(4-hydroxyphenyl)propanoic acid
CID 50979805
N-[(2S)-1-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 7601258
(2R)-3-(4-hydroxyphenyl)-2-(methylcarbamoylamino)propanoic acid
CID 104904497
2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 16774723

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-hydroxyphenyl)-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid?
The IUPAC name of (2R)-3-(4-hydroxyphenyl)-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid (CID 30051960) is (2R)-3-(4-hydroxyphenyl)-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-3-(4-hydroxyphenyl)-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-3-(4-hydroxyphenyl)-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid is Cc1occc1C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O.
What is the InChIKey of (2R)-3-(4-hydroxyphenyl)-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid?
The InChIKey is KHBMKXCSRWQEIY-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H15NO5/c1-9-12(6-7-21-9)14(18)16-13(15(19)20)8-10-2-4-11(17)5-3-10/h2-7,13,17H,8H2,1H3,(H,16,18)(H,19,20)/t13-/m1/s1.
What are the key properties of (2R)-3-(4-hydroxyphenyl)-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid?
(2R)-3-(4-hydroxyphenyl)-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid has a molecular weight of 289.29 g/mol, XLogP of 1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-hydroxyphenyl)-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 30051960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).