2-amino-3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]propanoic acid

C9H20N2O4 — CID 106257307

IUPAC2-amino-3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]propanoic acid
SMILESCOCCC(C)(O)CNCC(N)C(=O)O
InChIInChI=1S/C9H20N2O4/c1-9(14,3-4-15-2)6-11-5-7(10)8(12)13/h7,11,14H,3-6,10H2,1-2H3,(H,12,13)
InChIKeyXRCFTQNZBVMGTF-UHFFFAOYSA-N
MW220.27 g/mol
LogP-1.22
Rot. Bonds8

About 2-amino-3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]propanoic acid

2-amino-3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]propanoic acid (PubChem CID 106257307) has the molecular formula C9H20N2O4 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-amino-3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]propanoic acid
PubChem CID106257307
Molecular FormulaC9H20N2O4
Molecular Weight220.27 g/mol
Exact Mass220.14
IUPAC Name2-amino-3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]propanoic acid
SMILESCOCCC(C)(O)CNCC(N)C(=O)O
InChIInChI=1S/C9H20N2O4/c1-9(14,3-4-15-2)6-11-5-7(10)8(12)13/h7,11,14H,3-6,10H2,1-2H3,(H,12,13)
InChIKeyXRCFTQNZBVMGTF-UHFFFAOYSA-N
XLogP-1.22
TPSA104.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 5-1.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)butanamide
CID 106254850
2-amino-3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]propanoic acid
CID 106278540
2-amino-3-[(2-hydroxy-2-methylpentyl)amino]propanamide
CID 106294471
(2R)-2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylbutanamide
CID 106254016
2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-phenylacetamide
CID 106254706
2-amino-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]propanoic acid
CID 64583232
2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]butanamide
CID 106254647
2-amino-3-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]propanoic acid
CID 103263247
(2S)-2-amino-3-(3-methoxypropanoylamino)propanoic acid
CID 87289464
4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pentanoic acid
CID 106249581
N-(2-hydroxy-4-methoxy-2-methylbutyl)butanamide
CID 103712321
1-(4-hydroxybutylamino)-4-methoxy-2-methylbutan-2-ol
CID 106254985

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]propanoic acid?
The IUPAC name of 2-amino-3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]propanoic acid (CID 106257307) is 2-amino-3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]propanoic acid.
What is the SMILES notation for 2-amino-3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]propanoic acid?
The canonical SMILES for 2-amino-3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]propanoic acid is COCCC(C)(O)CNCC(N)C(=O)O.
What is the InChIKey of 2-amino-3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]propanoic acid?
The InChIKey is XRCFTQNZBVMGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4/c1-9(14,3-4-15-2)6-11-5-7(10)8(12)13/h7,11,14H,3-6,10H2,1-2H3,(H,12,13).
What are the key properties of 2-amino-3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]propanoic acid?
2-amino-3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]propanoic acid has a molecular weight of 220.27 g/mol, XLogP of -1.22, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]propanoic acid is sourced from PubChem (CID 106257307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).