2-amino-3-(3-methoxyanilino)propanoic acid

C10H14N2O3 — CID 103234775

IUPAC2-amino-3-(3-methoxyanilino)propanoic acid
SMILESCOc1cccc(NCC(N)C(=O)O)c1
InChIInChI=1S/C10H14N2O3/c1-15-8-4-2-3-7(5-8)12-6-9(11)10(13)14/h2-5,9,12H,6,11H2,1H3,(H,13,14)
InChIKeyQKAAKIMYIUOEDD-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.52
Rot. Bonds5

About 2-amino-3-(3-methoxyanilino)propanoic acid

2-amino-3-(3-methoxyanilino)propanoic acid (PubChem CID 103234775) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-amino-3-(3-methoxyanilino)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(3-methoxyanilino)propanoic acid
PubChem CID103234775
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-amino-3-(3-methoxyanilino)propanoic acid
SMILESCOc1cccc(NCC(N)C(=O)O)c1
InChIInChI=1S/C10H14N2O3/c1-15-8-4-2-3-7(5-8)12-6-9(11)10(13)14/h2-5,9,12H,6,11H2,1H3,(H,13,14)
InChIKeyQKAAKIMYIUOEDD-UHFFFAOYSA-N
XLogP0.52
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(3-chloroanilino)propanoic acid
CID 103234190
2-amino-3-[3-(dimethylamino)anilino]propanoic acid
CID 103260466
2-(3-methoxyanilino)-N-(1-phenylethyl)acetamide
CID 54814569
2-amino-3-(3-ethynylanilino)propanoic acid
CID 103230642
3-(3-methoxyanilino)propanamide
CID 43131962
2-amino-3-(3,4-dimethylanilino)propanoic acid
CID 103234153
4-(3-methoxyanilino)but-2-ynoic acid
CID 115023873
N'-(3-methoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806261
1-(3-methoxyanilino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989238
3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]benzamide
CID 107811332
ethane;N-ethyl-3-methoxyaniline
CID 142222302
(2S)-5-amino-2-[(3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid
CID 61200031

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-methoxyanilino)propanoic acid?
The IUPAC name of 2-amino-3-(3-methoxyanilino)propanoic acid (CID 103234775) is 2-amino-3-(3-methoxyanilino)propanoic acid.
What is the SMILES notation for 2-amino-3-(3-methoxyanilino)propanoic acid?
The canonical SMILES for 2-amino-3-(3-methoxyanilino)propanoic acid is COc1cccc(NCC(N)C(=O)O)c1.
What is the InChIKey of 2-amino-3-(3-methoxyanilino)propanoic acid?
The InChIKey is QKAAKIMYIUOEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-15-8-4-2-3-7(5-8)12-6-9(11)10(13)14/h2-5,9,12H,6,11H2,1H3,(H,13,14).
What are the key properties of 2-amino-3-(3-methoxyanilino)propanoic acid?
2-amino-3-(3-methoxyanilino)propanoic acid has a molecular weight of 210.23 g/mol, XLogP of 0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-methoxyanilino)propanoic acid is sourced from PubChem (CID 103234775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).