4-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methoxybutanoic acid

C14H20N2O5 — CID 103157035

IUPAC4-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methoxybutanoic acid
SMILESCOC(CNC(=O)[C@H](N)Cc1ccc(O)cc1)CC(=O)O
InChIInChI=1S/C14H20N2O5/c1-21-11(7-13(18)19)8-16-14(20)12(15)6-9-2-4-10(17)5-3-9/h2-5,11-12,17H,6-8,15H2,1H3,(H,16,20)(H,18,19)/t11?,12-/m1/s1
InChIKeyYZTCSDOMRJFDAW-PIJUOVFKSA-N
MW296.32 g/mol
LogP-0.13
Rot. Bonds8

About 4-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methoxybutanoic acid

4-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methoxybutanoic acid (PubChem CID 103157035) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 4-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methoxybutanoic acid.

Molecular Properties

Compound Name4-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methoxybutanoic acid
PubChem CID103157035
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name4-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methoxybutanoic acid
SMILESCOC(CNC(=O)[C@H](N)Cc1ccc(O)cc1)CC(=O)O
InChIInChI=1S/C14H20N2O5/c1-21-11(7-13(18)19)8-16-14(20)12(15)6-9-2-4-10(17)5-3-9/h2-5,11-12,17H,6-8,15H2,1H3,(H,16,20)(H,18,19)/t11?,12-/m1/s1
InChIKeyYZTCSDOMRJFDAW-PIJUOVFKSA-N
XLogP-0.13
TPSA121.88 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 5-0.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-2-methoxypropanoic acid
CID 106108909
5-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoic acid
CID 104905456
(2R)-2-amino-N-(2,3-dimethylbutyl)-3-(4-hydroxyphenyl)propanamide
CID 104905233
2-[[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]methyl]butanoic acid
CID 65224541
methyl 4-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]butanoate
CID 104904977
(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)propanamide
CID 61155006
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(2-methylsulfanylpropyl)propanamide
CID 104861427
(2S)-2-aminobutanedioic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid
CID 57368433
(2R)-2-amino-N-(2,3-dihydroxypropyl)-3-(4-hydroxyphenyl)propanamide
CID 104905303
methyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 144819630
2-amino-N-(2-hydroxypentyl)-3-(4-hydroxyphenyl)propanamide
CID 114350775
3-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-2,2-dimethylpropanoic acid
CID 104905430

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methoxybutanoic acid?
The IUPAC name of 4-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methoxybutanoic acid (CID 103157035) is 4-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methoxybutanoic acid.
What is the SMILES notation for 4-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methoxybutanoic acid?
The canonical SMILES for 4-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methoxybutanoic acid is COC(CNC(=O)[C@H](N)Cc1ccc(O)cc1)CC(=O)O.
What is the InChIKey of 4-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methoxybutanoic acid?
The InChIKey is YZTCSDOMRJFDAW-PIJUOVFKSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-21-11(7-13(18)19)8-16-14(20)12(15)6-9-2-4-10(17)5-3-9/h2-5,11-12,17H,6-8,15H2,1H3,(H,16,20)(H,18,19)/t11?,12-/m1/s1.
What are the key properties of 4-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methoxybutanoic acid?
4-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methoxybutanoic acid has a molecular weight of 296.32 g/mol, XLogP of -0.13, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methoxybutanoic acid is sourced from PubChem (CID 103157035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).