2-[(3-methylcyclobutanecarbonyl)amino]pentanoic acid

C11H19NO3 — CID 115923946

IUPAC2-[(3-methylcyclobutanecarbonyl)amino]pentanoic acid
SMILESCCCC(NC(=O)C1CC(C)C1)C(=O)O
InChIInChI=1S/C11H19NO3/c1-3-4-9(11(14)15)12-10(13)8-5-7(2)6-8/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyLWAQMEUWHGAKPL-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.40
Rot. Bonds5

About 2-[(3-methylcyclobutanecarbonyl)amino]pentanoic acid

2-[(3-methylcyclobutanecarbonyl)amino]pentanoic acid (PubChem CID 115923946) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[(3-methylcyclobutanecarbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(3-methylcyclobutanecarbonyl)amino]pentanoic acid
PubChem CID115923946
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-[(3-methylcyclobutanecarbonyl)amino]pentanoic acid
SMILESCCCC(NC(=O)C1CC(C)C1)C(=O)O
InChIInChI=1S/C11H19NO3/c1-3-4-9(11(14)15)12-10(13)8-5-7(2)6-8/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyLWAQMEUWHGAKPL-UHFFFAOYSA-N
XLogP1.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-carboxypentylcarbamoyl)-5-[[(1S)-1-carboxypentyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 143048092
2-[(3,5-dimethylcyclohexyl)carbamoylamino]pentanoic acid
CID 64732149
(2R)-2-[(1-methylpyrrolidine-3-carbonyl)amino]pentanoic acid
CID 107562789
(2R)-2-[(4-butylcyclohexanecarbonyl)amino]pentanoic acid
CID 107563614
(2S)-2-[[(3S)-piperidine-3-carbonyl]amino]pentanoic acid
CID 107565163
3-methyl-2-[(3-methylcyclobutanecarbonyl)amino]pentanoic acid
CID 115909831
(2S)-2-(cyclopent-3-ene-1-carbonylamino)hexanoic acid
CID 107144689
5-methoxy-2-[(4-methylcyclohexanecarbonyl)amino]-5-oxopentanoic acid
CID 82786795
2-(bicyclo[2.2.1]heptane-2-carbonylamino)pentanoic acid
CID 43631080
(2S)-2-[[3,5-bis[[(1S)-1-carboxy-3-methylbutyl]carbamoyl]cyclohexanecarbonyl]amino]-4-methylpentanoic acid
CID 132574091
2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid
CID 43630818
(2S)-2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107567840

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylcyclobutanecarbonyl)amino]pentanoic acid?
The IUPAC name of 2-[(3-methylcyclobutanecarbonyl)amino]pentanoic acid (CID 115923946) is 2-[(3-methylcyclobutanecarbonyl)amino]pentanoic acid.
What is the SMILES notation for 2-[(3-methylcyclobutanecarbonyl)amino]pentanoic acid?
The canonical SMILES for 2-[(3-methylcyclobutanecarbonyl)amino]pentanoic acid is CCCC(NC(=O)C1CC(C)C1)C(=O)O.
What is the InChIKey of 2-[(3-methylcyclobutanecarbonyl)amino]pentanoic acid?
The InChIKey is LWAQMEUWHGAKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-4-9(11(14)15)12-10(13)8-5-7(2)6-8/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-[(3-methylcyclobutanecarbonyl)amino]pentanoic acid?
2-[(3-methylcyclobutanecarbonyl)amino]pentanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylcyclobutanecarbonyl)amino]pentanoic acid is sourced from PubChem (CID 115923946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).