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

C14H20N2O5 — CID 103869710

IUPAC2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)[C@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C14H20N2O5/c1-21-7-6-16(9-13(18)19)14(20)12(15)8-10-2-4-11(17)5-3-10/h2-5,12,17H,6-9,15H2,1H3,(H,18,19)/t12-/m1/s1
InChIKeyROSZSAYRKMEXEC-GFCCVEGCSA-N
MW296.32 g/mol
LogP-0.18
Rot. Bonds8

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

2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]-(2-methoxyethyl)amino]acetic acid (PubChem CID 103869710) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]-(2-methoxyethyl)amino]acetic acid
PubChem CID103869710
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)[C@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C14H20N2O5/c1-21-7-6-16(9-13(18)19)14(20)12(15)8-10-2-4-11(17)5-3-10/h2-5,12,17H,6-9,15H2,1H3,(H,18,19)/t12-/m1/s1
InChIKeyROSZSAYRKMEXEC-GFCCVEGCSA-N
XLogP-0.18
TPSA113.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-(2-methoxyethyl)amino]acetic acid
CID 79272186
(2S)-2-amino-3-(4-hydroxyphenyl)-N,N-bis(2-methoxyethyl)propanamide
CID 61154746
2-[(2-amino-3-phenylpropanoyl)-(2-methoxyethyl)amino]acetic acid
CID 79269846
2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(2-methoxyethyl)propanamide
CID 76904317
2-amino-N-butan-2-yl-3-(4-hydroxyphenyl)-N-(2-methoxyethyl)propanamide
CID 76911958
2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-phenylpropanamide
CID 60980750
(2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-phenylpropanamide
CID 104861606
2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]-(cyclopropylmethyl)amino]acetic acid
CID 76894221
(2R)-2-amino-N,N-bis(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)propanamide
CID 104905118
2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]-tert-butylamino]acetic acid
CID 104905324
2-[[(2R)-2-amino-2-phenylacetyl]-(2-methoxyethyl)amino]acetic acid
CID 79272062
(2S)-2-amino-N-(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)-N-(2-methylpropyl)propanamide
CID 61163222

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]-(2-methoxyethyl)amino]acetic acid (CID 103869710) is 2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)[C@H](N)Cc1ccc(O)cc1.
What is the InChIKey of 2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]-(2-methoxyethyl)amino]acetic acid?
The InChIKey is ROSZSAYRKMEXEC-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-21-7-6-16(9-13(18)19)14(20)12(15)8-10-2-4-11(17)5-3-10/h2-5,12,17H,6-9,15H2,1H3,(H,18,19)/t12-/m1/s1.
What are the key properties of 2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]-(2-methoxyethyl)amino]acetic acid?
2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]-(2-methoxyethyl)amino]acetic acid has a molecular weight of 296.32 g/mol, XLogP of -0.18, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 103869710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).