5-[(2,2-dimethylcyclopropyl)amino]-3-methyl-5-oxopentanoic acid

C11H19NO3 — CID 62964927

IUPAC5-[(2,2-dimethylcyclopropyl)amino]-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)NC1CC1(C)C
InChIInChI=1S/C11H19NO3/c1-7(5-10(14)15)4-9(13)12-8-6-11(8,2)3/h7-8H,4-6H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyLTHLHARVEKCLSG-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.40
Rot. Bonds5

About 5-[(2,2-dimethylcyclopropyl)amino]-3-methyl-5-oxopentanoic acid

5-[(2,2-dimethylcyclopropyl)amino]-3-methyl-5-oxopentanoic acid (PubChem CID 62964927) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 5-[(2,2-dimethylcyclopropyl)amino]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(2,2-dimethylcyclopropyl)amino]-3-methyl-5-oxopentanoic acid
PubChem CID62964927
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name5-[(2,2-dimethylcyclopropyl)amino]-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)NC1CC1(C)C
InChIInChI=1S/C11H19NO3/c1-7(5-10(14)15)4-9(13)12-8-6-11(8,2)3/h7-8H,4-6H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyLTHLHARVEKCLSG-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

5-[(2,2-dimethylcyclopentyl)carbamoylamino]-3-methyl-5-oxopentanoic acid
CID 79878603
3-methyl-5-oxo-5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pentanoic acid
CID 62963837
5-(cyclobutylamino)-3-methyl-5-oxopentanoic acid
CID 62965613
3-cyclopropyl-3-[(2,2-dimethylcyclopropyl)carbamoylamino]propanoic acid
CID 82003269
5-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-methyl-5-oxopentanoic acid
CID 107214806
5-[(2-cyanocyclopentyl)amino]-3-methyl-5-oxopentanoic acid
CID 62961989
2-[(2,2-dimethylcyclopropyl)carbamoyl-(2-methylpropyl)amino]acetic acid
CID 55147833
(2R)-2-[(2,2-dimethylcyclopropyl)carbamoylamino]-3-hydroxypropanoic acid
CID 80755976
5-[(1-ethylpiperidin-4-yl)amino]-3-methyl-5-oxopentanoic acid
CID 62963713
2-(dimethylamino)-N-(2,2-dimethylcyclopropyl)acetamide
CID 130686025
strontium;hydride;3-methylpentanedioic acid
CID 173490798
3-methyl-5-oxo-5-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pentanoic acid
CID 79360156

Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-dimethylcyclopropyl)amino]-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[(2,2-dimethylcyclopropyl)amino]-3-methyl-5-oxopentanoic acid (CID 62964927) is 5-[(2,2-dimethylcyclopropyl)amino]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[(2,2-dimethylcyclopropyl)amino]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[(2,2-dimethylcyclopropyl)amino]-3-methyl-5-oxopentanoic acid is CC(CC(=O)O)CC(=O)NC1CC1(C)C.
What is the InChIKey of 5-[(2,2-dimethylcyclopropyl)amino]-3-methyl-5-oxopentanoic acid?
The InChIKey is LTHLHARVEKCLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-7(5-10(14)15)4-9(13)12-8-6-11(8,2)3/h7-8H,4-6H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 5-[(2,2-dimethylcyclopropyl)amino]-3-methyl-5-oxopentanoic acid?
5-[(2,2-dimethylcyclopropyl)amino]-3-methyl-5-oxopentanoic 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 5-[(2,2-dimethylcyclopropyl)amino]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 62964927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).