2-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]pentanoic acid

C10H15Cl2NO3 — CID 115923942

IUPAC2-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]pentanoic acid
SMILESCCCC(NC(=O)C1(C)CC1(Cl)Cl)C(=O)O
InChIInChI=1S/C10H15Cl2NO3/c1-3-4-6(7(14)15)13-8(16)9(2)5-10(9,11)12/h6H,3-5H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyYRGKPHLWGUASGN-UHFFFAOYSA-N
MW268.14 g/mol
LogP1.94
Rot. Bonds5

About 2-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]pentanoic acid

2-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]pentanoic acid (PubChem CID 115923942) has the molecular formula C10H15Cl2NO3 and a molecular weight of 268.14 g/mol. Its IUPAC name is 2-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]pentanoic acid
PubChem CID115923942
Molecular FormulaC10H15Cl2NO3
Molecular Weight268.14 g/mol
Exact Mass267.04
IUPAC Name2-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]pentanoic acid
SMILESCCCC(NC(=O)C1(C)CC1(Cl)Cl)C(=O)O
InChIInChI=1S/C10H15Cl2NO3/c1-3-4-6(7(14)15)13-8(16)9(2)5-10(9,11)12/h6H,3-5H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyYRGKPHLWGUASGN-UHFFFAOYSA-N
XLogP1.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[(1-methylcyclopropanecarbonyl)amino]pentanoic acid
CID 165451319
(2R)-2-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]propanoic acid
CID 103791157
2-[(1-aminocyclopropanecarbonyl)amino]pentanoic acid
CID 65463645
2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]pentanoic acid
CID 43630613
(2S)-2-[(4-amino-3-methyloxolane-3-carbonyl)amino]pentanoic acid
CID 107565154
(2R)-2-(2,3-dimethylbutanoylamino)pentanoic acid
CID 107563339
(2R)-2-(prop-2-ynoylamino)pentanoic acid
CID 93252070
2-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]pentanoic acid
CID 63162284
2-(prop-2-ynylcarbamoylamino)pentanoic acid
CID 24704064
(2S)-2-(iodoamino)pentanoic acid
CID 175707899
(2R)-2-(butanoylamino)pentanoic acid
CID 107562849
(1R)-N-butyl-2,2-dichloro-1-methylcyclopropane-1-carboxamide
CID 95235951

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]pentanoic acid?
The IUPAC name of 2-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]pentanoic acid (CID 115923942) is 2-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]pentanoic acid.
What is the SMILES notation for 2-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]pentanoic acid?
The canonical SMILES for 2-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]pentanoic acid is CCCC(NC(=O)C1(C)CC1(Cl)Cl)C(=O)O.
What is the InChIKey of 2-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]pentanoic acid?
The InChIKey is YRGKPHLWGUASGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl2NO3/c1-3-4-6(7(14)15)13-8(16)9(2)5-10(9,11)12/h6H,3-5H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 2-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]pentanoic acid?
2-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]pentanoic acid has a molecular weight of 268.14 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]pentanoic acid is sourced from PubChem (CID 115923942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).