(2R)-2-acetamido-3-hydroxy-N-[(4-hydroxyphenyl)methyl]propanamide

C12H16N2O4 — CID 156596630

IUPAC(2R)-2-acetamido-3-hydroxy-N-[(4-hydroxyphenyl)methyl]propanamide
SMILESCC(=O)N[C@H](CO)C(=O)NCc1ccc(O)cc1
InChIInChI=1S/C12H16N2O4/c1-8(16)14-11(7-15)12(18)13-6-9-2-4-10(17)5-3-9/h2-5,11,15,17H,6-7H2,1H3,(H,13,18)(H,14,16)/t11-/m1/s1
InChIKeyQWRCHVAOLQXQLQ-LLVKDONJSA-N
MW252.27 g/mol
LogP-0.49
Rot. Bonds5

About (2R)-2-acetamido-3-hydroxy-N-[(4-hydroxyphenyl)methyl]propanamide

(2R)-2-acetamido-3-hydroxy-N-[(4-hydroxyphenyl)methyl]propanamide (PubChem CID 156596630) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is (2R)-2-acetamido-3-hydroxy-N-[(4-hydroxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-3-hydroxy-N-[(4-hydroxyphenyl)methyl]propanamide
PubChem CID156596630
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name(2R)-2-acetamido-3-hydroxy-N-[(4-hydroxyphenyl)methyl]propanamide
SMILESCC(=O)N[C@H](CO)C(=O)NCc1ccc(O)cc1
InChIInChI=1S/C12H16N2O4/c1-8(16)14-11(7-15)12(18)13-6-9-2-4-10(17)5-3-9/h2-5,11,15,17H,6-7H2,1H3,(H,13,18)(H,14,16)/t11-/m1/s1
InChIKeyQWRCHVAOLQXQLQ-LLVKDONJSA-N
XLogP-0.49
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

Tyroservaltide
CID 11303106
Ac-Phe-Ala-Tyr-Lys(Me3)-Ser-NH2
CID 73386663
isovaleryl-Tyr-Tyr-ol
CID 5288649
2-Amino-N-(1-{[(1,3-dimethyl-butylcarbamoyl)-methyl]-carbamoyl}-2-hydroxy-ethyl)-3-(4-hydroxy-phenyl)-propionamide
CID 14019899
2-Amino-N-(2-tert-butoxy-1-{[(1,3-dimethyl-butylcarbamoyl)-methyl]-carbamoyl}-ethyl)-3-(4-hydroxy-phenyl)-propionamide
CID 14019901
H-Tyr-D-Ala-Gly-N(Me)Leu-Gly-ol
CID 14019922
N-[2-[3-(8-Amino-octylamino)-propylamino]-2-hydroxy-1-(4-hydroxy-benzyl)-ethyl]-butyramide
CID 44369047
3-hydroxy-4-[[3-(4-hydroxyphenyl)-2-(3-methylbutanoylamino)propanoyl]amino]-6-methyl-N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]heptanamide
CID 44384134
(3S,7S,8S)-7-hydroxy-8-[(4-hydroxyphenyl)methyl]-3-propan-2-yl-1,4,9-triazacyclohenicosane-2,5,10-trione
CID 155524560
Ser-Tyr
CID 7021866
(2R)-2-acetamido-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 44538161
Tyrosylthreonine
CID 14522584

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-3-hydroxy-N-[(4-hydroxyphenyl)methyl]propanamide?
The IUPAC name of (2R)-2-acetamido-3-hydroxy-N-[(4-hydroxyphenyl)methyl]propanamide (CID 156596630) is (2R)-2-acetamido-3-hydroxy-N-[(4-hydroxyphenyl)methyl]propanamide.
What is the SMILES notation for (2R)-2-acetamido-3-hydroxy-N-[(4-hydroxyphenyl)methyl]propanamide?
The canonical SMILES for (2R)-2-acetamido-3-hydroxy-N-[(4-hydroxyphenyl)methyl]propanamide is CC(=O)N[C@H](CO)C(=O)NCc1ccc(O)cc1.
What is the InChIKey of (2R)-2-acetamido-3-hydroxy-N-[(4-hydroxyphenyl)methyl]propanamide?
The InChIKey is QWRCHVAOLQXQLQ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-8(16)14-11(7-15)12(18)13-6-9-2-4-10(17)5-3-9/h2-5,11,15,17H,6-7H2,1H3,(H,13,18)(H,14,16)/t11-/m1/s1.
What are the key properties of (2R)-2-acetamido-3-hydroxy-N-[(4-hydroxyphenyl)methyl]propanamide?
(2R)-2-acetamido-3-hydroxy-N-[(4-hydroxyphenyl)methyl]propanamide has a molecular weight of 252.27 g/mol, XLogP of -0.49, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-3-hydroxy-N-[(4-hydroxyphenyl)methyl]propanamide is sourced from PubChem (CID 156596630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).