2-[(2-amino-3-phenylpropanoyl)-(2-methoxyethyl)amino]acetic acid

C14H20N2O4 — CID 79269846

IUPAC2-[(2-amino-3-phenylpropanoyl)-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)C(N)Cc1ccccc1
InChIInChI=1S/C14H20N2O4/c1-20-8-7-16(10-13(17)18)14(19)12(15)9-11-5-3-2-4-6-11/h2-6,12H,7-10,15H2,1H3,(H,17,18)
InChIKeyIYQILZJLKQTJRK-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.12
Rot. Bonds8

About 2-[(2-amino-3-phenylpropanoyl)-(2-methoxyethyl)amino]acetic acid

2-[(2-amino-3-phenylpropanoyl)-(2-methoxyethyl)amino]acetic acid (PubChem CID 79269846) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[(2-amino-3-phenylpropanoyl)-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-3-phenylpropanoyl)-(2-methoxyethyl)amino]acetic acid
PubChem CID79269846
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[(2-amino-3-phenylpropanoyl)-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)C(N)Cc1ccccc1
InChIInChI=1S/C14H20N2O4/c1-20-8-7-16(10-13(17)18)14(19)12(15)9-11-5-3-2-4-6-11/h2-6,12H,7-10,15H2,1H3,(H,17,18)
InChIKeyIYQILZJLKQTJRK-UHFFFAOYSA-N
XLogP0.12
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-(2-methoxyethyl)amino]acetic acid
CID 79272186
2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]-(2-methoxyethyl)amino]acetic acid
CID 103869710
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-[[(2R)-2-amino-2-phenylacetyl]-(2-methoxyethyl)amino]acetic acid
CID 79272062
(2S)-2-amino-3-(4-hydroxyphenyl)-N,N-bis(2-methoxyethyl)propanamide
CID 61154746
(2S)-2-amino-N-(2-methoxyethyl)-N-pentan-3-yl-3-phenylpropanamide
CID 61163372
(2R)-2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-phenylpropanamide
CID 78985515
2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(2-methoxyethyl)propanamide
CID 76904317
2-[[(2S)-2-amino-3-phenylpropanoyl]-prop-2-ynylamino]acetic acid
CID 79274998
2-[(2-amino-3-phenylpropanoyl)-prop-2-enylamino]acetic acid
CID 79262621
(2S)-2-amino-N-benzyl-N-(2-methoxyethyl)pentanamide
CID 93367288

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3-phenylpropanoyl)-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-3-phenylpropanoyl)-(2-methoxyethyl)amino]acetic acid (CID 79269846) is 2-[(2-amino-3-phenylpropanoyl)-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-3-phenylpropanoyl)-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-3-phenylpropanoyl)-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)C(N)Cc1ccccc1.
What is the InChIKey of 2-[(2-amino-3-phenylpropanoyl)-(2-methoxyethyl)amino]acetic acid?
The InChIKey is IYQILZJLKQTJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-20-8-7-16(10-13(17)18)14(19)12(15)9-11-5-3-2-4-6-11/h2-6,12H,7-10,15H2,1H3,(H,17,18).
What are the key properties of 2-[(2-amino-3-phenylpropanoyl)-(2-methoxyethyl)amino]acetic acid?
2-[(2-amino-3-phenylpropanoyl)-(2-methoxyethyl)amino]acetic acid has a molecular weight of 280.32 g/mol, XLogP of 0.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3-phenylpropanoyl)-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 79269846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).