3-[(2-methoxyacetyl)-propan-2-ylamino]propanoic acid

C9H17NO4 — CID 61276954

IUPAC3-[(2-methoxyacetyl)-propan-2-ylamino]propanoic acid
SMILESCOCC(=O)N(CCC(=O)O)C(C)C
InChIInChI=1S/C9H17NO4/c1-7(2)10(5-4-9(12)13)8(11)6-14-3/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyBEAMZDKDSQSMEM-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.34
Rot. Bonds6

About 3-[(2-methoxyacetyl)-propan-2-ylamino]propanoic acid

3-[(2-methoxyacetyl)-propan-2-ylamino]propanoic acid (PubChem CID 61276954) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-[(2-methoxyacetyl)-propan-2-ylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-methoxyacetyl)-propan-2-ylamino]propanoic acid
PubChem CID61276954
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name3-[(2-methoxyacetyl)-propan-2-ylamino]propanoic acid
SMILESCOCC(=O)N(CCC(=O)O)C(C)C
InChIInChI=1S/C9H17NO4/c1-7(2)10(5-4-9(12)13)8(11)6-14-3/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyBEAMZDKDSQSMEM-UHFFFAOYSA-N
XLogP0.34
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methoxyacetyl)-propan-2-ylamino]acetic acid
CID 61276953
2-methoxy-N-[2-(methylamino)ethyl]-N-propan-2-ylacetamide
CID 165447343
3-[3-ethylpentanoyl(propan-2-yl)amino]propanoic acid
CID 120520184
3-[(5-amino-4-methylpentanoyl)-propan-2-ylamino]propanoic acid
CID 82011216
3-[3-acetamidopropanoyl(propan-2-yl)amino]propanoic acid
CID 60832281
3-[[2-(azetidin-3-yl)acetyl]-propan-2-ylamino]propanoic acid
CID 64611407
3-[[2-hydroxyethyl(propan-2-yl)carbamoyl]-propan-2-ylamino]propanoic acid
CID 54994879
3-[[2-(3,4-dichlorophenoxy)acetyl]-propan-2-ylamino]propanoic acid
CID 60831758
3-[2-(dimethylamino)ethyl-(2-methoxyacetyl)amino]propanoic acid
CID 82325696
3-[3-(oxan-4-yloxy)propanoyl-propan-2-ylamino]propanoic acid
CID 120520092
3-[[cyclopropyl(2-methoxyethyl)carbamoyl]-propan-2-ylamino]propanoic acid
CID 61452623
3-[dimethylaminocarbamoyl(propan-2-yl)amino]propanoic acid
CID 83020290

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyacetyl)-propan-2-ylamino]propanoic acid?
The IUPAC name of 3-[(2-methoxyacetyl)-propan-2-ylamino]propanoic acid (CID 61276954) is 3-[(2-methoxyacetyl)-propan-2-ylamino]propanoic acid.
What is the SMILES notation for 3-[(2-methoxyacetyl)-propan-2-ylamino]propanoic acid?
The canonical SMILES for 3-[(2-methoxyacetyl)-propan-2-ylamino]propanoic acid is COCC(=O)N(CCC(=O)O)C(C)C.
What is the InChIKey of 3-[(2-methoxyacetyl)-propan-2-ylamino]propanoic acid?
The InChIKey is BEAMZDKDSQSMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-7(2)10(5-4-9(12)13)8(11)6-14-3/h7H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 3-[(2-methoxyacetyl)-propan-2-ylamino]propanoic acid?
3-[(2-methoxyacetyl)-propan-2-ylamino]propanoic acid has a molecular weight of 203.24 g/mol, XLogP of 0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyacetyl)-propan-2-ylamino]propanoic acid is sourced from PubChem (CID 61276954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).