(2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methoxypropan-2-yl)propanamide

C13H20N2O3 — CID 61148762

IUPAC(2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methoxypropan-2-yl)propanamide
SMILESCOCC(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C13H20N2O3/c1-9(8-18-2)15-13(17)12(14)7-10-3-5-11(16)6-4-10/h3-6,9,12,16H,7-8,14H2,1-2H3,(H,15,17)/t9?,12-/m0/s1
InChIKeyYBNKZPUWGOEKDK-ACGXKRRESA-N
MW252.31 g/mol
LogP0.41
Rot. Bonds6

About (2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methoxypropan-2-yl)propanamide

(2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methoxypropan-2-yl)propanamide (PubChem CID 61148762) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methoxypropan-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methoxypropan-2-yl)propanamide
PubChem CID61148762
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name(2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methoxypropan-2-yl)propanamide
SMILESCOCC(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C13H20N2O3/c1-9(8-18-2)15-13(17)12(14)7-10-3-5-11(16)6-4-10/h3-6,9,12,16H,7-8,14H2,1-2H3,(H,15,17)/t9?,12-/m0/s1
InChIKeyYBNKZPUWGOEKDK-ACGXKRRESA-N
XLogP0.41
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoate
CID 104904819
2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methoxybutanoic acid
CID 62478128
(2R)-2-[(2-amino-3-methoxypropanoyl)amino]-3-(4-hydroxyphenyl)propanoic acid
CID 104905658
ethyl 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoate
CID 76905411
methyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 144819630
2-amino-3-methoxy-N-(1-methoxypropan-2-yl)propanamide
CID 81082109
2-[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]propanoylamino]propanoic acid
CID 19950021
(2S)-2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanamide
CID 7023501
(2R)-2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-3-(4-hydroxyphenyl)propanamide
CID 104905321
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[(2R)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl]propanamide
CID 18598850
(2S)-2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-3-(4-hydroxyphenyl)propanamide
CID 61245571
methyl 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoate;hydrobromide
CID 70618594

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methoxypropan-2-yl)propanamide?
The IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methoxypropan-2-yl)propanamide (CID 61148762) is (2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methoxypropan-2-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methoxypropan-2-yl)propanamide?
The canonical SMILES for (2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methoxypropan-2-yl)propanamide is COCC(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1.
What is the InChIKey of (2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methoxypropan-2-yl)propanamide?
The InChIKey is YBNKZPUWGOEKDK-ACGXKRRESA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9(8-18-2)15-13(17)12(14)7-10-3-5-11(16)6-4-10/h3-6,9,12,16H,7-8,14H2,1-2H3,(H,15,17)/t9?,12-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methoxypropan-2-yl)propanamide?
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methoxypropan-2-yl)propanamide has a molecular weight of 252.31 g/mol, XLogP of 0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methoxypropan-2-yl)propanamide is sourced from PubChem (CID 61148762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).