2-amino-3-[4-[[3-(ethylamino)-3-methoxypropyl]amino]phenyl]propanoic acid

C15H25N3O3 — CID 143283889

IUPAC2-amino-3-[4-[[3-(ethylamino)-3-methoxypropyl]amino]phenyl]propanoic acid
SMILESCCNC(CCNc1ccc(CC(N)C(=O)O)cc1)OC
InChIInChI=1S/C15H25N3O3/c1-3-17-14(21-2)8-9-18-12-6-4-11(5-7-12)10-13(16)15(19)20/h4-7,13-14,17-18H,3,8-10,16H2,1-2H3,(H,19,20)
InChIKeyBYXYPCSCUPBHFO-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.02
Rot. Bonds10

About 2-amino-3-[4-[[3-(ethylamino)-3-methoxypropyl]amino]phenyl]propanoic acid

2-amino-3-[4-[[3-(ethylamino)-3-methoxypropyl]amino]phenyl]propanoic acid (PubChem CID 143283889) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-amino-3-[4-[[3-(ethylamino)-3-methoxypropyl]amino]phenyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[4-[[3-(ethylamino)-3-methoxypropyl]amino]phenyl]propanoic acid
PubChem CID143283889
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name2-amino-3-[4-[[3-(ethylamino)-3-methoxypropyl]amino]phenyl]propanoic acid
SMILESCCNC(CCNc1ccc(CC(N)C(=O)O)cc1)OC
InChIInChI=1S/C15H25N3O3/c1-3-17-14(21-2)8-9-18-12-6-4-11(5-7-12)10-13(16)15(19)20/h4-7,13-14,17-18H,3,8-10,16H2,1-2H3,(H,19,20)
InChIKeyBYXYPCSCUPBHFO-UHFFFAOYSA-N
XLogP1.02
TPSA96.61 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-[4-(ethylamino)phenyl]propanoic acid;dihydrochloride
CID 22603322
2-amino-3-[4-(2-methylbutan-2-ylamino)phenyl]propanoic acid
CID 22603295
2-amino-3-[4-(2-oxopropylamino)phenyl]propanoic acid;ethane
CID 145486712
(2S)-2-amino-3-[4-(benzylamino)phenyl]propanoic acid
CID 59773787
(2S)-2-amino-3-(4-ethylphenyl)propanoic acid
CID 13406785
2-amino-5-[[4-(2-fluoroethylamino)phenyl]methyl]hexanedioic acid
CID 175284109
2-amino-3-phenylpropanoic acid;methyl 2-amino-3-phenylpropanoate
CID 22763650
(2S)-2-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 24802313
(2S)-2-amino-3-[4-(2-morpholin-4-ylethylamino)phenyl]propanoic acid
CID 130323279
(2S)-2-amino-3-[4-(methylcarbamoylamino)phenyl]propanoic acid
CID 66819935
(2S)-2-amino-3-[4-[[2-(4-hydroxyanilino)acetyl]oxymethyl]phenyl]propanoic acid
CID 68754922
2-amino-3-(4-arsanylphenyl)propanoic acid
CID 173173215

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-[[3-(ethylamino)-3-methoxypropyl]amino]phenyl]propanoic acid?
The IUPAC name of 2-amino-3-[4-[[3-(ethylamino)-3-methoxypropyl]amino]phenyl]propanoic acid (CID 143283889) is 2-amino-3-[4-[[3-(ethylamino)-3-methoxypropyl]amino]phenyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[4-[[3-(ethylamino)-3-methoxypropyl]amino]phenyl]propanoic acid?
The canonical SMILES for 2-amino-3-[4-[[3-(ethylamino)-3-methoxypropyl]amino]phenyl]propanoic acid is CCNC(CCNc1ccc(CC(N)C(=O)O)cc1)OC.
What is the InChIKey of 2-amino-3-[4-[[3-(ethylamino)-3-methoxypropyl]amino]phenyl]propanoic acid?
The InChIKey is BYXYPCSCUPBHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-3-17-14(21-2)8-9-18-12-6-4-11(5-7-12)10-13(16)15(19)20/h4-7,13-14,17-18H,3,8-10,16H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-3-[4-[[3-(ethylamino)-3-methoxypropyl]amino]phenyl]propanoic acid?
2-amino-3-[4-[[3-(ethylamino)-3-methoxypropyl]amino]phenyl]propanoic acid has a molecular weight of 295.38 g/mol, XLogP of 1.02, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-[[3-(ethylamino)-3-methoxypropyl]amino]phenyl]propanoic acid is sourced from PubChem (CID 143283889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).