3-[3-carboxypropyl(2-ethylbutanoyl)amino]-2-methylpropanoic acid

C14H25NO5 — CID 82323914

IUPAC3-[3-carboxypropyl(2-ethylbutanoyl)amino]-2-methylpropanoic acid
SMILESCCC(CC)C(=O)N(CCCC(=O)O)CC(C)C(=O)O
InChIInChI=1S/C14H25NO5/c1-4-11(5-2)13(18)15(8-6-7-12(16)17)9-10(3)14(19)20/h10-11H,4-9H2,1-3H3,(H,16,17)(H,19,20)
InChIKeyGXSFMSAJYWLEFG-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.84
Rot. Bonds10

About 3-[3-carboxypropyl(2-ethylbutanoyl)amino]-2-methylpropanoic acid

3-[3-carboxypropyl(2-ethylbutanoyl)amino]-2-methylpropanoic acid (PubChem CID 82323914) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-[3-carboxypropyl(2-ethylbutanoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[3-carboxypropyl(2-ethylbutanoyl)amino]-2-methylpropanoic acid
PubChem CID82323914
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Name3-[3-carboxypropyl(2-ethylbutanoyl)amino]-2-methylpropanoic acid
SMILESCCC(CC)C(=O)N(CCCC(=O)O)CC(C)C(=O)O
InChIInChI=1S/C14H25NO5/c1-4-11(5-2)13(18)15(8-6-7-12(16)17)9-10(3)14(19)20/h10-11H,4-9H2,1-3H3,(H,16,17)(H,19,20)
InChIKeyGXSFMSAJYWLEFG-UHFFFAOYSA-N
XLogP1.84
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-ethylbutanoyl(pentyl)amino]-2-methylpropanoic acid
CID 82323896
3-[2-ethylbutanoyl(2-hydroxypropyl)amino]-2-methylpropanoic acid
CID 82323893
4-[benzyl(2-ethylbutanoyl)amino]butanoic acid
CID 120606664
3-[2-carboxyethyl(3-carboxypropyl)amino]-2-methylpropanoic acid
CID 82330638
3-[2-carboxyethyl(propanoyl)amino]-2-methylpropanoic acid
CID 82323339
3-[3-hydroxypropyl(2-methylpropanoyl)amino]-2-methylpropanoic acid
CID 82323660
4-[2-methylbutyl(propan-2-yl)amino]butanoic acid
CID 62105886
2-[2-carboxypropyl(2-ethylbutanoyl)amino]butanoic acid
CID 82323920
3-[butyl(propanoyl)amino]-2-methylpropanoic acid
CID 82323303
3-[dibutylcarbamoyl(ethyl)amino]-2-methylpropanoic acid
CID 62853369
3-[butanoyl-[3-(diethylamino)propyl]amino]-2-methylpropanoic acid
CID 82323456
3-[3-carboxypropyl(cycloheptyl)amino]-2-methylpropanoic acid
CID 82330624

Frequently Asked Questions

What is the IUPAC name of 3-[3-carboxypropyl(2-ethylbutanoyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[3-carboxypropyl(2-ethylbutanoyl)amino]-2-methylpropanoic acid (CID 82323914) is 3-[3-carboxypropyl(2-ethylbutanoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[3-carboxypropyl(2-ethylbutanoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[3-carboxypropyl(2-ethylbutanoyl)amino]-2-methylpropanoic acid is CCC(CC)C(=O)N(CCCC(=O)O)CC(C)C(=O)O.
What is the InChIKey of 3-[3-carboxypropyl(2-ethylbutanoyl)amino]-2-methylpropanoic acid?
The InChIKey is GXSFMSAJYWLEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO5/c1-4-11(5-2)13(18)15(8-6-7-12(16)17)9-10(3)14(19)20/h10-11H,4-9H2,1-3H3,(H,16,17)(H,19,20).
What are the key properties of 3-[3-carboxypropyl(2-ethylbutanoyl)amino]-2-methylpropanoic acid?
3-[3-carboxypropyl(2-ethylbutanoyl)amino]-2-methylpropanoic acid has a molecular weight of 287.36 g/mol, XLogP of 1.84, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-carboxypropyl(2-ethylbutanoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 82323914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).