3-[ethyl-(3-methylcyclobutanecarbonyl)amino]propanoic acid

C11H19NO3 — CID 115909737

IUPAC3-[ethyl-(3-methylcyclobutanecarbonyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)C1CC(C)C1
InChIInChI=1S/C11H19NO3/c1-3-12(5-4-10(13)14)11(15)9-6-8(2)7-9/h8-9H,3-7H2,1-2H3,(H,13,14)
InChIKeyVXISYEVGMUZCGP-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.36
Rot. Bonds5

About 3-[ethyl-(3-methylcyclobutanecarbonyl)amino]propanoic acid

3-[ethyl-(3-methylcyclobutanecarbonyl)amino]propanoic acid (PubChem CID 115909737) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-[ethyl-(3-methylcyclobutanecarbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-(3-methylcyclobutanecarbonyl)amino]propanoic acid
PubChem CID115909737
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name3-[ethyl-(3-methylcyclobutanecarbonyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)C1CC(C)C1
InChIInChI=1S/C11H19NO3/c1-3-12(5-4-10(13)14)11(15)9-6-8(2)7-9/h8-9H,3-7H2,1-2H3,(H,13,14)
InChIKeyVXISYEVGMUZCGP-UHFFFAOYSA-N
XLogP1.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[ethyl-(2-methylcyclopentanecarbonyl)amino]propanoic acid
CID 107175280
3-[(4-tert-butylcyclohexanecarbonyl)-ethylamino]propanoic acid
CID 61007609
3-[ethyl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119191361
3-[ethyl-[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 61006656
3-[[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-ethylamino]propanoic acid
CID 124684391
3-[butyl(cyclopropanecarbonyl)amino]propanoic acid
CID 82323933
3-[(2,4-dimethylpiperidine-1-carbonyl)-ethylamino]propanoic acid
CID 62331863
3-[(3,4-dimethylpyrrolidine-1-carbonyl)-ethylamino]propanoic acid
CID 79181066
3-[cyclohexanecarbonyl(propyl)amino]propanoic acid
CID 82324168
3-[ethyl(oxane-2-carbonyl)amino]propanoic acid
CID 62213143
3-[ethyl-[(2R)-1-methylsulfonylpiperidine-2-carbonyl]amino]propanoic acid
CID 93435543
3-[ethyl(3-hydroxypropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103551173

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(3-methylcyclobutanecarbonyl)amino]propanoic acid?
The IUPAC name of 3-[ethyl-(3-methylcyclobutanecarbonyl)amino]propanoic acid (CID 115909737) is 3-[ethyl-(3-methylcyclobutanecarbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-(3-methylcyclobutanecarbonyl)amino]propanoic acid?
The canonical SMILES for 3-[ethyl-(3-methylcyclobutanecarbonyl)amino]propanoic acid is CCN(CCC(=O)O)C(=O)C1CC(C)C1.
What is the InChIKey of 3-[ethyl-(3-methylcyclobutanecarbonyl)amino]propanoic acid?
The InChIKey is VXISYEVGMUZCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-12(5-4-10(13)14)11(15)9-6-8(2)7-9/h8-9H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 3-[ethyl-(3-methylcyclobutanecarbonyl)amino]propanoic acid?
3-[ethyl-(3-methylcyclobutanecarbonyl)amino]propanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(3-methylcyclobutanecarbonyl)amino]propanoic acid is sourced from PubChem (CID 115909737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).