3-(2-ethylbutanoylamino)-2-methoxypropanoic acid

C10H19NO4 — CID 106107186

IUPAC3-(2-ethylbutanoylamino)-2-methoxypropanoic acid
SMILESCCC(CC)C(=O)NCC(OC)C(=O)O
InChIInChI=1S/C10H19NO4/c1-4-7(5-2)9(12)11-6-8(15-3)10(13)14/h7-8H,4-6H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyBIQPUUTYDQKFDO-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.64
Rot. Bonds7

About 3-(2-ethylbutanoylamino)-2-methoxypropanoic acid

3-(2-ethylbutanoylamino)-2-methoxypropanoic acid (PubChem CID 106107186) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 3-(2-ethylbutanoylamino)-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-(2-ethylbutanoylamino)-2-methoxypropanoic acid
PubChem CID106107186
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name3-(2-ethylbutanoylamino)-2-methoxypropanoic acid
SMILESCCC(CC)C(=O)NCC(OC)C(=O)O
InChIInChI=1S/C10H19NO4/c1-4-7(5-2)9(12)11-6-8(15-3)10(13)14/h7-8H,4-6H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyBIQPUUTYDQKFDO-UHFFFAOYSA-N
XLogP0.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2R)-2-aminopropanoyl]amino]-2-methoxypropanoic acid
CID 106109032
3-[(2,2-difluoroacetyl)amino]-2-methoxypropanoic acid
CID 106107877
3-[[(2R)-2-aminopentanoyl]amino]-2-methoxypropanoic acid
CID 106108985
3-(2-cyclopropylpropanoylamino)-2-methoxypropanoic acid
CID 106107430
2-methoxy-3-(3-methylpentanoylamino)propanoic acid
CID 106107442
2-methoxy-3-(propan-2-yloxycarbonylamino)propanoic acid
CID 106108243
3-[(2-hydroxy-2-phenylacetyl)amino]-2-methoxypropanoic acid
CID 114144281
2-ethyl-N-[(2R)-2-hydroxypropyl]butanamide
CID 39236453
2-ethylbutanoic acid;2-ethyl-N-[(2-ethylbutanoylamino)methyl]butanamide
CID 157432754
3-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoylamino]-2-methoxypropanoic acid
CID 106110722
3-[(4-ethylbenzoyl)amino]-2-methoxypropanoic acid
CID 114144332
3-(2-ethylhexylcarbamoylamino)-2-methoxypropanoic acid
CID 106110667

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylbutanoylamino)-2-methoxypropanoic acid?
The IUPAC name of 3-(2-ethylbutanoylamino)-2-methoxypropanoic acid (CID 106107186) is 3-(2-ethylbutanoylamino)-2-methoxypropanoic acid.
What is the SMILES notation for 3-(2-ethylbutanoylamino)-2-methoxypropanoic acid?
The canonical SMILES for 3-(2-ethylbutanoylamino)-2-methoxypropanoic acid is CCC(CC)C(=O)NCC(OC)C(=O)O.
What is the InChIKey of 3-(2-ethylbutanoylamino)-2-methoxypropanoic acid?
The InChIKey is BIQPUUTYDQKFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-4-7(5-2)9(12)11-6-8(15-3)10(13)14/h7-8H,4-6H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 3-(2-ethylbutanoylamino)-2-methoxypropanoic acid?
3-(2-ethylbutanoylamino)-2-methoxypropanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylbutanoylamino)-2-methoxypropanoic acid is sourced from PubChem (CID 106107186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).