2-amino-3-[(2-methoxy-5-propan-2-ylphenyl)methylamino]propanoic acid

C14H22N2O3 — CID 115240663

IUPAC2-amino-3-[(2-methoxy-5-propan-2-ylphenyl)methylamino]propanoic acid
SMILESCOc1ccc(C(C)C)cc1CNCC(N)C(=O)O
InChIInChI=1S/C14H22N2O3/c1-9(2)10-4-5-13(19-3)11(6-10)7-16-8-12(15)14(17)18/h4-6,9,12,16H,7-8,15H2,1-3H3,(H,17,18)
InChIKeyRLZWRRKXRFYZKI-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.32
Rot. Bonds7

About 2-amino-3-[(2-methoxy-5-propan-2-ylphenyl)methylamino]propanoic acid

2-amino-3-[(2-methoxy-5-propan-2-ylphenyl)methylamino]propanoic acid (PubChem CID 115240663) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-amino-3-[(2-methoxy-5-propan-2-ylphenyl)methylamino]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[(2-methoxy-5-propan-2-ylphenyl)methylamino]propanoic acid
PubChem CID115240663
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-amino-3-[(2-methoxy-5-propan-2-ylphenyl)methylamino]propanoic acid
SMILESCOc1ccc(C(C)C)cc1CNCC(N)C(=O)O
InChIInChI=1S/C14H22N2O3/c1-9(2)10-4-5-13(19-3)11(6-10)7-16-8-12(15)14(17)18/h4-6,9,12,16H,7-8,15H2,1-3H3,(H,17,18)
InChIKeyRLZWRRKXRFYZKI-UHFFFAOYSA-N
XLogP1.32
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-[(2-methoxy-5-methylphenyl)methylamino]propanoic acid
CID 115240648
2-amino-3-[(5-chloro-2-methoxyphenyl)methylamino]propanoic acid
CID 115240654
2-amino-3-[(5-ethyl-2-methoxyphenyl)methylamino]propanoic acid
CID 115240677
2-amino-3-[(2-methoxy-4,5-dimethylphenyl)methylamino]propanoic acid
CID 115240667
2-amino-3-[(3-ethyl-4-methoxyphenyl)methylamino]propanoic acid
CID 115240676
4-[(2-methoxy-5-propan-2-ylphenyl)methylamino]butanoic acid
CID 115218601
4-[(2-methoxy-5-propan-2-ylphenyl)methylamino]butan-2-one
CID 115235635
2-amino-3-[(3,4-dimethoxyphenyl)methylamino]propanoic acid
CID 64583436
N-[(2-methoxy-5-propan-2-ylphenyl)methyl]acetamide
CID 110780628
[(2-methoxy-5-propan-2-ylphenyl)methylamino]methanethiol
CID 115227896
2-hydroxy-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]acetamide
CID 94687136
N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-3-sulfanylpropanamide
CID 115167836

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(2-methoxy-5-propan-2-ylphenyl)methylamino]propanoic acid?
The IUPAC name of 2-amino-3-[(2-methoxy-5-propan-2-ylphenyl)methylamino]propanoic acid (CID 115240663) is 2-amino-3-[(2-methoxy-5-propan-2-ylphenyl)methylamino]propanoic acid.
What is the SMILES notation for 2-amino-3-[(2-methoxy-5-propan-2-ylphenyl)methylamino]propanoic acid?
The canonical SMILES for 2-amino-3-[(2-methoxy-5-propan-2-ylphenyl)methylamino]propanoic acid is COc1ccc(C(C)C)cc1CNCC(N)C(=O)O.
What is the InChIKey of 2-amino-3-[(2-methoxy-5-propan-2-ylphenyl)methylamino]propanoic acid?
The InChIKey is RLZWRRKXRFYZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9(2)10-4-5-13(19-3)11(6-10)7-16-8-12(15)14(17)18/h4-6,9,12,16H,7-8,15H2,1-3H3,(H,17,18).
What are the key properties of 2-amino-3-[(2-methoxy-5-propan-2-ylphenyl)methylamino]propanoic acid?
2-amino-3-[(2-methoxy-5-propan-2-ylphenyl)methylamino]propanoic acid has a molecular weight of 266.34 g/mol, XLogP of 1.32, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(2-methoxy-5-propan-2-ylphenyl)methylamino]propanoic acid is sourced from PubChem (CID 115240663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).