N'-[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-N'-methylbutanediamide

C14H19N3O4 — CID 174300055

IUPACN'-[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-N'-methylbutanediamide
SMILESCN(C(=O)CCC(N)=O)[C@H](Cc1ccc(O)cc1)C(N)=O
InChIInChI=1S/C14H19N3O4/c1-17(13(20)7-6-12(15)19)11(14(16)21)8-9-2-4-10(18)5-3-9/h2-5,11,18H,6-8H2,1H3,(H2,15,19)(H2,16,21)/t11-/m1/s1
InChIKeySHLGIFIOISPCPO-LLVKDONJSA-N
MW293.32 g/mol
LogP-0.49
Rot. Bonds7

About N'-[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-N'-methylbutanediamide

N'-[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-N'-methylbutanediamide (PubChem CID 174300055) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is N'-[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-N'-methylbutanediamide.

Molecular Properties

Compound NameN'-[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-N'-methylbutanediamide
PubChem CID174300055
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC NameN'-[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-N'-methylbutanediamide
SMILESCN(C(=O)CCC(N)=O)[C@H](Cc1ccc(O)cc1)C(N)=O
InChIInChI=1S/C14H19N3O4/c1-17(13(20)7-6-12(15)19)11(14(16)21)8-9-2-4-10(18)5-3-9/h2-5,11,18H,6-8H2,1H3,(H2,15,19)(H2,16,21)/t11-/m1/s1
InChIKeySHLGIFIOISPCPO-LLVKDONJSA-N
XLogP-0.49
TPSA126.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propanamide
CID 70366423
N'-[(2R)-5-amino-1-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-methylamino]-1-oxopentan-2-yl]butanediamide
CID 174299617
2-[ethoxycarbonyl(methyl)amino]-3-(4-hydroxyphenyl)propanoic acid
CID 70070432
2-[1-(4-hydroxyphenyl)propan-2-yl-methylamino]acetamide
CID 80505706
[(2S)-2-[ethyl(hydroxy)amino]-3-(4-hydroxyphenyl)propanoyl] (2S)-2-[ethyl(hydroxy)amino]-3-(4-hydroxyphenyl)propanoate
CID 155773814
(2R)-2-amino-3-(4-hydroxyphenyl)propanamide
CID 10511575
ethyl 3-amino-2-[(4-hydroxyphenyl)methyl]-3-oxopropanoate
CID 121013946
2-amino-N-(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 76893046
(2R)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide
CID 104904759
(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide
CID 61156108
(5R)-5-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2S)-1-(2-hydroxyethylamino)-1-oxo-3-phenylpropan-2-yl]-N-methyl-4-oxohexanamide
CID 158113566
2-amino-3-(4-hydroxyphenyl)propanamide;hydrobromide
CID 174991066

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-N'-methylbutanediamide?
The IUPAC name of N'-[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-N'-methylbutanediamide (CID 174300055) is N'-[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-N'-methylbutanediamide.
What is the SMILES notation for N'-[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-N'-methylbutanediamide?
The canonical SMILES for N'-[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-N'-methylbutanediamide is CN(C(=O)CCC(N)=O)[C@H](Cc1ccc(O)cc1)C(N)=O.
What is the InChIKey of N'-[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-N'-methylbutanediamide?
The InChIKey is SHLGIFIOISPCPO-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-17(13(20)7-6-12(15)19)11(14(16)21)8-9-2-4-10(18)5-3-9/h2-5,11,18H,6-8H2,1H3,(H2,15,19)(H2,16,21)/t11-/m1/s1.
What are the key properties of N'-[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-N'-methylbutanediamide?
N'-[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-N'-methylbutanediamide has a molecular weight of 293.32 g/mol, XLogP of -0.49, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-N'-methylbutanediamide is sourced from PubChem (CID 174300055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).