4-(2-cyclopropylpropanoylamino)-3-methoxybutanoic acid

C11H19NO4 — CID 103153368

IUPAC4-(2-cyclopropylpropanoylamino)-3-methoxybutanoic acid
SMILESCOC(CNC(=O)C(C)C1CC1)CC(=O)O
InChIInChI=1S/C11H19NO4/c1-7(8-3-4-8)11(15)12-6-9(16-2)5-10(13)14/h7-9H,3-6H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyCTDBDIDKLINRDQ-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.64
Rot. Bonds7

About 4-(2-cyclopropylpropanoylamino)-3-methoxybutanoic acid

4-(2-cyclopropylpropanoylamino)-3-methoxybutanoic acid (PubChem CID 103153368) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-(2-cyclopropylpropanoylamino)-3-methoxybutanoic acid.

Molecular Properties

Compound Name4-(2-cyclopropylpropanoylamino)-3-methoxybutanoic acid
PubChem CID103153368
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name4-(2-cyclopropylpropanoylamino)-3-methoxybutanoic acid
SMILESCOC(CNC(=O)C(C)C1CC1)CC(=O)O
InChIInChI=1S/C11H19NO4/c1-7(8-3-4-8)11(15)12-6-9(16-2)5-10(13)14/h7-9H,3-6H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyCTDBDIDKLINRDQ-UHFFFAOYSA-N
XLogP0.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-cyclopropylpropanoylamino)-2-methoxypropanoic acid
CID 106107430
4-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-3-methoxybutanoic acid
CID 106836750
4-[[2-(cyclopropylmethylamino)acetyl]amino]-3-methoxybutanoic acid
CID 103156988
4-(cyclobutylcarbamoylamino)-3-methoxybutanoic acid
CID 103153423
4-[[2-(cyclopropylamino)acetyl]amino]-3-methoxybutanoic acid
CID 103157367
3-methoxy-4-[(4-methylcyclohexanecarbonyl)amino]butanoic acid
CID 103153013
3-methoxy-4-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid
CID 103157063
3-methoxy-4-[(4-propan-2-ylazepane-1-carbonyl)amino]butanoic acid
CID 103159491
3-methoxy-4-(piperidine-2-carbonylamino)butanoic acid
CID 103157185
4-[(4-cyclopropylpiperazine-1-carbonyl)amino]-3-methoxybutanoic acid
CID 103158808
4-(2-aminobutanoylamino)-3-methoxybutanoic acid
CID 103157192
4-(3-aminobutanoylamino)-3-methoxybutanoic acid
CID 103156918

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropylpropanoylamino)-3-methoxybutanoic acid?
The IUPAC name of 4-(2-cyclopropylpropanoylamino)-3-methoxybutanoic acid (CID 103153368) is 4-(2-cyclopropylpropanoylamino)-3-methoxybutanoic acid.
What is the SMILES notation for 4-(2-cyclopropylpropanoylamino)-3-methoxybutanoic acid?
The canonical SMILES for 4-(2-cyclopropylpropanoylamino)-3-methoxybutanoic acid is COC(CNC(=O)C(C)C1CC1)CC(=O)O.
What is the InChIKey of 4-(2-cyclopropylpropanoylamino)-3-methoxybutanoic acid?
The InChIKey is CTDBDIDKLINRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-7(8-3-4-8)11(15)12-6-9(16-2)5-10(13)14/h7-9H,3-6H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of 4-(2-cyclopropylpropanoylamino)-3-methoxybutanoic acid?
4-(2-cyclopropylpropanoylamino)-3-methoxybutanoic acid has a molecular weight of 229.28 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 4-(2-cyclopropylpropanoylamino)-3-methoxybutanoic acid is sourced from PubChem (CID 103153368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).