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

C14H18N2O4 — CID 104904500

IUPAC(2R)-2-(cyclobutylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid
SMILESO=C(NC1CCC1)N[C@H](Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C14H18N2O4/c17-11-6-4-9(5-7-11)8-12(13(18)19)16-14(20)15-10-2-1-3-10/h4-7,10,12,17H,1-3,8H2,(H,18,19)(H2,15,16,20)/t12-/m1/s1
InChIKeyPGTBDKPYPOBGSC-GFCCVEGCSA-N
MW278.31 g/mol
LogP1.24
Rot. Bonds5

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

(2R)-2-(cyclobutylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid (PubChem CID 104904500) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is (2R)-2-(cyclobutylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(cyclobutylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid
PubChem CID104904500
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name(2R)-2-(cyclobutylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid
SMILESO=C(NC1CCC1)N[C@H](Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C14H18N2O4/c17-11-6-4-9(5-7-11)8-12(13(18)19)16-14(20)15-10-2-1-3-10/h4-7,10,12,17H,1-3,8H2,(H,18,19)(H2,15,16,20)/t12-/m1/s1
InChIKeyPGTBDKPYPOBGSC-GFCCVEGCSA-N
XLogP1.24
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 61187927
(2S)-2-(cyclooctylcarbamoylamino)-3-(4-hydroxyphenyl)propanamide
CID 119074984
(2S)-3-(4-hydroxyphenyl)-2-[(3-methylcyclobutyl)carbamoylamino]propanoic acid
CID 104861573
2-(cyclopentylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 18352519
(2R)-3-(4-hydroxyphenyl)-2-(propan-2-ylcarbamoylamino)propanoic acid
CID 28737836
(2R)-3-(4-hydroxyphenyl)-2-(methylcarbamoylamino)propanoic acid
CID 104904497
(2R)-2-(2-cyclopropylethylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 104905935
cis-(1S,2R)-2-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 40729381
(2R)-2-[(2-chloroacetyl)amino]-3-(4-hydroxyphenyl)propanoic acid
CID 25021406
N-cyclohexylcyclohexanamine;(2S)-2-formamido-3-(4-hydroxyphenyl)propanoic acid
CID 71352551
2-(benzylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 23018453
2-(2,2-difluoroethylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 115408106

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclobutylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid?
The IUPAC name of (2R)-2-(cyclobutylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid (CID 104904500) is (2R)-2-(cyclobutylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid.
What is the SMILES notation for (2R)-2-(cyclobutylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid?
The canonical SMILES for (2R)-2-(cyclobutylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid is O=C(NC1CCC1)N[C@H](Cc1ccc(O)cc1)C(=O)O.
What is the InChIKey of (2R)-2-(cyclobutylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid?
The InChIKey is PGTBDKPYPOBGSC-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18N2O4/c17-11-6-4-9(5-7-11)8-12(13(18)19)16-14(20)15-10-2-1-3-10/h4-7,10,12,17H,1-3,8H2,(H,18,19)(H2,15,16,20)/t12-/m1/s1.
What are the key properties of (2R)-2-(cyclobutylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid?
(2R)-2-(cyclobutylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid has a molecular weight of 278.31 g/mol, XLogP of 1.24, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclobutylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 104904500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).