2-[methyl-(2-propoxyacetyl)amino]butanoic acid

C10H19NO4 — CID 107937887

IUPAC2-[methyl-(2-propoxyacetyl)amino]butanoic acid
SMILESCCCOCC(=O)N(C)C(CC)C(=O)O
InChIInChI=1S/C10H19NO4/c1-4-6-15-7-9(12)11(3)8(5-2)10(13)14/h8H,4-7H2,1-3H3,(H,13,14)
InChIKeyJZMGEVGYZXXCCT-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.73
Rot. Bonds7

About 2-[methyl-(2-propoxyacetyl)amino]butanoic acid

2-[methyl-(2-propoxyacetyl)amino]butanoic acid (PubChem CID 107937887) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-[methyl-(2-propoxyacetyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[methyl-(2-propoxyacetyl)amino]butanoic acid
PubChem CID107937887
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-[methyl-(2-propoxyacetyl)amino]butanoic acid
SMILESCCCOCC(=O)N(C)C(CC)C(=O)O
InChIInChI=1S/C10H19NO4/c1-4-6-15-7-9(12)11(3)8(5-2)10(13)14/h8H,4-7H2,1-3H3,(H,13,14)
InChIKeyJZMGEVGYZXXCCT-UHFFFAOYSA-N
XLogP0.73
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl-methylamino]butanoic acid
CID 114162542
2-[3-(2,2-difluoroethoxy)propanoyl-methylamino]butanoic acid
CID 103205929
2-[[2-ethoxyethyl(methyl)carbamoyl]-methylamino]butanoic acid
CID 81058123
(2R)-2-[methyl-(2-pentoxyacetyl)amino]propanoic acid
CID 97098347
ethane;2-[methyl(propyl)amino]-3-propoxypropanoic acid
CID 163400180
2-[(3-amino-3-methylbutanoyl)-methylamino]butanoic acid
CID 64678637
N-(2-aminopropyl)-N-methyl-2-propoxyacetamide
CID 107941599
2-[[2-methoxyethyl(propan-2-yl)carbamoyl]-methylamino]butanoic acid
CID 82951996
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-propoxyacetamide
CID 103275017
2-[(2-amino-2-ethylbutanoyl)-methylamino]butanoic acid
CID 79812427
N-(1-hydroxypropan-2-yl)-2-(2-methoxyethoxy)-N-methylacetamide
CID 115765010
N,N-dibutyl-2-propoxyacetamide
CID 48656867

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2-propoxyacetyl)amino]butanoic acid?
The IUPAC name of 2-[methyl-(2-propoxyacetyl)amino]butanoic acid (CID 107937887) is 2-[methyl-(2-propoxyacetyl)amino]butanoic acid.
What is the SMILES notation for 2-[methyl-(2-propoxyacetyl)amino]butanoic acid?
The canonical SMILES for 2-[methyl-(2-propoxyacetyl)amino]butanoic acid is CCCOCC(=O)N(C)C(CC)C(=O)O.
What is the InChIKey of 2-[methyl-(2-propoxyacetyl)amino]butanoic acid?
The InChIKey is JZMGEVGYZXXCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-4-6-15-7-9(12)11(3)8(5-2)10(13)14/h8H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 2-[methyl-(2-propoxyacetyl)amino]butanoic acid?
2-[methyl-(2-propoxyacetyl)amino]butanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2-propoxyacetyl)amino]butanoic acid is sourced from PubChem (CID 107937887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).