(2R)-2-(2-cyclopropylethylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid

C15H20N2O4 — CID 104905935

IUPAC(2R)-2-(2-cyclopropylethylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid
SMILESO=C(NCCC1CC1)N[C@H](Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C15H20N2O4/c18-12-5-3-11(4-6-12)9-13(14(19)20)17-15(21)16-8-7-10-1-2-10/h3-6,10,13,18H,1-2,7-9H2,(H,19,20)(H2,16,17,21)/t13-/m1/s1
InChIKeyISBOHEPNLJLZKT-CYBMUJFWSA-N
MW292.33 g/mol
LogP1.49
Rot. Bonds7

About (2R)-2-(2-cyclopropylethylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid

(2R)-2-(2-cyclopropylethylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid (PubChem CID 104905935) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is (2R)-2-(2-cyclopropylethylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(2-cyclopropylethylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid
PubChem CID104905935
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name(2R)-2-(2-cyclopropylethylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid
SMILESO=C(NCCC1CC1)N[C@H](Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C15H20N2O4/c18-12-5-3-11(4-6-12)9-13(14(19)20)17-15(21)16-8-7-10-1-2-10/h3-6,10,13,18H,1-2,7-9H2,(H,19,20)(H2,16,17,21)/t13-/m1/s1
InChIKeyISBOHEPNLJLZKT-CYBMUJFWSA-N
XLogP1.49
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3-cyclopropylpropylcarbamoylamino)-3-phenylpropanoic acid
CID 104902528
(2R)-2-(3-aminopropylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 104905925
2-(cyclopropylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 61187927
(2R)-2-(but-3-ynylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 104905933
(2R)-2-(cyclobutylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 104904500
(2R)-3-(4-hydroxyphenyl)-2-(methylcarbamoylamino)propanoic acid
CID 104904497
3-(4-hydroxyphenyl)-2-(3-methoxypropylcarbamoylamino)propanoic acid
CID 61194452
(2R)-3-(4-hydroxyphenyl)-2-(pent-4-ynylcarbamoylamino)propanoic acid
CID 106222960
(2S)-3-(4-hydroxyphenyl)-2-(2-methylpropylcarbamoylamino)propanoic acid
CID 61188123
2-(benzylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 23018453
2-(2,2-difluoroethylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 115408106
(2R)-3-(4-hydroxyphenyl)-2-(2-methylpropylcarbamoylamino)propanoic acid
CID 104905883

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-cyclopropylethylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid?
The IUPAC name of (2R)-2-(2-cyclopropylethylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid (CID 104905935) is (2R)-2-(2-cyclopropylethylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid.
What is the SMILES notation for (2R)-2-(2-cyclopropylethylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid?
The canonical SMILES for (2R)-2-(2-cyclopropylethylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid is O=C(NCCC1CC1)N[C@H](Cc1ccc(O)cc1)C(=O)O.
What is the InChIKey of (2R)-2-(2-cyclopropylethylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid?
The InChIKey is ISBOHEPNLJLZKT-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N2O4/c18-12-5-3-11(4-6-12)9-13(14(19)20)17-15(21)16-8-7-10-1-2-10/h3-6,10,13,18H,1-2,7-9H2,(H,19,20)(H2,16,17,21)/t13-/m1/s1.
What are the key properties of (2R)-2-(2-cyclopropylethylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid?
(2R)-2-(2-cyclopropylethylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid has a molecular weight of 292.33 g/mol, XLogP of 1.49, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-cyclopropylethylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 104905935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).