(2R)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide

C12H17N3O3 — CID 104904759

IUPAC(2R)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide
SMILESNC(=O)CCNC(=O)[C@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C12H17N3O3/c13-10(12(18)15-6-5-11(14)17)7-8-1-3-9(16)4-2-8/h1-4,10,16H,5-7,13H2,(H2,14,17)(H,15,18)/t10-/m1/s1
InChIKeyQKWQXPIACUXSRW-SNVBAGLBSA-N
MW251.29 g/mol
LogP-0.75
Rot. Bonds6

About (2R)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide

(2R)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide (PubChem CID 104904759) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is (2R)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide
PubChem CID104904759
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name(2R)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide
SMILESNC(=O)CCNC(=O)[C@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C12H17N3O3/c13-10(12(18)15-6-5-11(14)17)7-8-1-3-9(16)4-2-8/h1-4,10,16H,5-7,13H2,(H2,14,17)(H,15,18)/t10-/m1/s1
InChIKeyQKWQXPIACUXSRW-SNVBAGLBSA-N
XLogP-0.75
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide
CID 61156108
(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)propanamide
CID 61155006
(2S)-2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 106236638
(2R)-2-amino-N-(4-aminobutyl)-3-(4-hydroxyphenyl)propanamide
CID 104904980
2-amino-3-(4-hydroxyphenyl)-N-[(4-methylphenyl)methyl]propanamide
CID 76892661
methyl 4-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]butanoate
CID 104904977
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(2-sulfamoylethyl)propanamide
CID 61154717
2-amino-3-(4-hydroxyphenyl)-N-(4,4,4-trifluorobutyl)propanamide
CID 114350635
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(5-methylhexyl)propanamide
CID 104905427
(2R)-2-amino-N-(2,3-dimethylbutyl)-3-(4-hydroxyphenyl)propanamide
CID 104905233
(2R)-2-amino-N-[(4-fluorophenyl)methyl]-3-(4-hydroxyphenyl)propanamide
CID 104904605
2-amino-3-(4-hydroxyphenyl)-N-(3-methylsulfanylbutyl)propanamide
CID 114350771

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of (2R)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide (CID 104904759) is (2R)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for (2R)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide is NC(=O)CCNC(=O)[C@H](N)Cc1ccc(O)cc1.
What is the InChIKey of (2R)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide?
The InChIKey is QKWQXPIACUXSRW-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17N3O3/c13-10(12(18)15-6-5-11(14)17)7-8-1-3-9(16)4-2-8/h1-4,10,16H,5-7,13H2,(H2,14,17)(H,15,18)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide?
(2R)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide has a molecular weight of 251.29 g/mol, XLogP of -0.75, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 104904759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).