3,3-dimethyl-5-[(1-methylcyclopentyl)amino]-5-oxopentanoic acid

C13H23NO3 — CID 62934594

IUPAC3,3-dimethyl-5-[(1-methylcyclopentyl)amino]-5-oxopentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)NC1(C)CCCC1
InChIInChI=1S/C13H23NO3/c1-12(2,9-11(16)17)8-10(15)14-13(3)6-4-5-7-13/h4-9H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyNQPVUPZDWMZJKQ-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.33
Rot. Bonds5

About 3,3-dimethyl-5-[(1-methylcyclopentyl)amino]-5-oxopentanoic acid

3,3-dimethyl-5-[(1-methylcyclopentyl)amino]-5-oxopentanoic acid (PubChem CID 62934594) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3,3-dimethyl-5-[(1-methylcyclopentyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-5-[(1-methylcyclopentyl)amino]-5-oxopentanoic acid
PubChem CID62934594
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name3,3-dimethyl-5-[(1-methylcyclopentyl)amino]-5-oxopentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)NC1(C)CCCC1
InChIInChI=1S/C13H23NO3/c1-12(2,9-11(16)17)8-10(15)14-13(3)6-4-5-7-13/h4-9H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyNQPVUPZDWMZJKQ-UHFFFAOYSA-N
XLogP2.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 58727729
5-[[4-(hydroxymethyl)oxan-4-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 114169999
5-[(1-ethylcyclopropyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 106703695
5-[[1-(dimethylamino)cyclohexyl]methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62933876
2-[1-[2-[(1-methylcyclobutyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 113485316
N-(1-methylcyclobutyl)propanamide
CID 115766065
N-(1-methylcyclopentyl)-2-methylsulfanylacetamide
CID 131154660
3,3-dimethyl-5-(3-methylbutan-2-ylamino)-5-oxopentanoic acid
CID 62934378
2-(1-aminocyclopentyl)-N-(1-methylcyclopentyl)acetamide
CID 64677004
N-(1-methylcyclohexyl)-3-sulfanylpropanamide
CID 107027315
3,3-dimethyl-5-oxo-5-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentanoic acid
CID 62933699
2-[(1-methylcyclopentyl)amino]-2-oxoacetic acid
CID 64687877

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-[(1-methylcyclopentyl)amino]-5-oxopentanoic acid?
The IUPAC name of 3,3-dimethyl-5-[(1-methylcyclopentyl)amino]-5-oxopentanoic acid (CID 62934594) is 3,3-dimethyl-5-[(1-methylcyclopentyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 3,3-dimethyl-5-[(1-methylcyclopentyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 3,3-dimethyl-5-[(1-methylcyclopentyl)amino]-5-oxopentanoic acid is CC(C)(CC(=O)O)CC(=O)NC1(C)CCCC1.
What is the InChIKey of 3,3-dimethyl-5-[(1-methylcyclopentyl)amino]-5-oxopentanoic acid?
The InChIKey is NQPVUPZDWMZJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-12(2,9-11(16)17)8-10(15)14-13(3)6-4-5-7-13/h4-9H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 3,3-dimethyl-5-[(1-methylcyclopentyl)amino]-5-oxopentanoic acid?
3,3-dimethyl-5-[(1-methylcyclopentyl)amino]-5-oxopentanoic acid has a molecular weight of 241.33 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-[(1-methylcyclopentyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 62934594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).