2-[2-(2-amino-3-phenylpropanoyl)oxyethoxy]ethyl 2-amino-3-phenylpropanoate

C22H28N2O5 — CID 58112359

IUPAC2-[2-(2-amino-3-phenylpropanoyl)oxyethoxy]ethyl 2-amino-3-phenylpropanoate
SMILESNC(Cc1ccccc1)C(=O)OCCOCCOC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C22H28N2O5/c23-19(15-17-7-3-1-4-8-17)21(25)28-13-11-27-12-14-29-22(26)20(24)16-18-9-5-2-6-10-18/h1-10,19-20H,11-16,23-24H2
InChIKeyRKRHDOJPKDFYQT-UHFFFAOYSA-N
MW400.48 g/mol
LogP1.23
Rot. Bonds12

About 2-[2-(2-amino-3-phenylpropanoyl)oxyethoxy]ethyl 2-amino-3-phenylpropanoate

2-[2-(2-amino-3-phenylpropanoyl)oxyethoxy]ethyl 2-amino-3-phenylpropanoate (PubChem CID 58112359) has the molecular formula C22H28N2O5 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-[2-(2-amino-3-phenylpropanoyl)oxyethoxy]ethyl 2-amino-3-phenylpropanoate.

Molecular Properties

Compound Name2-[2-(2-amino-3-phenylpropanoyl)oxyethoxy]ethyl 2-amino-3-phenylpropanoate
PubChem CID58112359
Molecular FormulaC22H28N2O5
Molecular Weight400.48 g/mol
Exact Mass400.20
IUPAC Name2-[2-(2-amino-3-phenylpropanoyl)oxyethoxy]ethyl 2-amino-3-phenylpropanoate
SMILESNC(Cc1ccccc1)C(=O)OCCOCCOC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C22H28N2O5/c23-19(15-17-7-3-1-4-8-17)21(25)28-13-11-27-12-14-29-22(26)20(24)16-18-9-5-2-6-10-18/h1-10,19-20H,11-16,23-24H2
InChIKeyRKRHDOJPKDFYQT-UHFFFAOYSA-N
XLogP1.23
TPSA113.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2-[(2S)-2-amino-3-phenylpropanoyl]oxyethyl]phenyl]ethyl (2S)-2-amino-3-phenylpropanoate
CID 102020436
2-methoxyethyl (2R)-2-amino-3-phenylpropanoate
CID 104902257
3-[(2S)-2-amino-3-phenylpropanoyl]oxypropyl (2S)-2-amino-3-phenylpropanoate
CID 100951987
2-bromoethyl (2S)-2-amino-3-phenylpropanoate
CID 14217156
3-[(2S)-2-amino-3-phenylpropanoyl]oxypropanoic acid
CID 169084038
2-[2-(2-amino-3-phenylpropanoyl)oxyethoxy]ethyl 2-amino-3-phenylpropanoate;bis(4-methylbenzenesulfonic acid)
CID 123551906
butyl (2S)-2-amino-3-phenylpropanoate
CID 11402655
4-hydroxybutyl (2S)-2-amino-3-phenylpropanoate
CID 3035673
3-methylbutyl 2-amino-3-phenylpropanoate
CID 61278471
4-[(2R)-2-amino-3-phenylpropanoyl]oxybutanoic acid
CID 174208096
3-methoxypropyl (2S)-2-amino-3-phenylpropanoate
CID 61278803
CID 175525029
CID 175525029

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-amino-3-phenylpropanoyl)oxyethoxy]ethyl 2-amino-3-phenylpropanoate?
The IUPAC name of 2-[2-(2-amino-3-phenylpropanoyl)oxyethoxy]ethyl 2-amino-3-phenylpropanoate (CID 58112359) is 2-[2-(2-amino-3-phenylpropanoyl)oxyethoxy]ethyl 2-amino-3-phenylpropanoate.
What is the SMILES notation for 2-[2-(2-amino-3-phenylpropanoyl)oxyethoxy]ethyl 2-amino-3-phenylpropanoate?
The canonical SMILES for 2-[2-(2-amino-3-phenylpropanoyl)oxyethoxy]ethyl 2-amino-3-phenylpropanoate is NC(Cc1ccccc1)C(=O)OCCOCCOC(=O)C(N)Cc1ccccc1.
What is the InChIKey of 2-[2-(2-amino-3-phenylpropanoyl)oxyethoxy]ethyl 2-amino-3-phenylpropanoate?
The InChIKey is RKRHDOJPKDFYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5/c23-19(15-17-7-3-1-4-8-17)21(25)28-13-11-27-12-14-29-22(26)20(24)16-18-9-5-2-6-10-18/h1-10,19-20H,11-16,23-24H2.
What are the key properties of 2-[2-(2-amino-3-phenylpropanoyl)oxyethoxy]ethyl 2-amino-3-phenylpropanoate?
2-[2-(2-amino-3-phenylpropanoyl)oxyethoxy]ethyl 2-amino-3-phenylpropanoate has a molecular weight of 400.48 g/mol, XLogP of 1.23, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-amino-3-phenylpropanoyl)oxyethoxy]ethyl 2-amino-3-phenylpropanoate is sourced from PubChem (CID 58112359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).