4,4-dimethyl-6-[(2-pyrrolidin-2-ylacetyl)amino]hexanoic acid

C14H26N2O3 — CID 65285697

IUPAC4,4-dimethyl-6-[(2-pyrrolidin-2-ylacetyl)amino]hexanoic acid
SMILESCC(C)(CCNC(=O)CC1CCCN1)CCC(=O)O
InChIInChI=1S/C14H26N2O3/c1-14(2,6-5-13(18)19)7-9-16-12(17)10-11-4-3-8-15-11/h11,15H,3-10H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyVFBRUEFQGOODNA-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.53
Rot. Bonds8

About 4,4-dimethyl-6-[(2-pyrrolidin-2-ylacetyl)amino]hexanoic acid

4,4-dimethyl-6-[(2-pyrrolidin-2-ylacetyl)amino]hexanoic acid (PubChem CID 65285697) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4,4-dimethyl-6-[(2-pyrrolidin-2-ylacetyl)amino]hexanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-6-[(2-pyrrolidin-2-ylacetyl)amino]hexanoic acid
PubChem CID65285697
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name4,4-dimethyl-6-[(2-pyrrolidin-2-ylacetyl)amino]hexanoic acid
SMILESCC(C)(CCNC(=O)CC1CCCN1)CCC(=O)O
InChIInChI=1S/C14H26N2O3/c1-14(2,6-5-13(18)19)7-9-16-12(17)10-11-4-3-8-15-11/h11,15H,3-10H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyVFBRUEFQGOODNA-UHFFFAOYSA-N
XLogP1.53
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-6-[[(2R)-piperidine-2-carbonyl]amino]hexanoic acid
CID 104914105
4,4-dimethyl-6-(3-piperidin-3-ylpropanoylamino)hexanoic acid
CID 65286080
N,N-dimethyl-4-[(2-pyrrolidin-2-ylacetyl)amino]butanamide
CID 119748283
2-methyl-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]propanamide
CID 61365863
6-[[2-(cyclopentylamino)acetyl]amino]-4,4-dimethylhexanoic acid
CID 65285792
2-pyrrolidin-2-yl-N-(4,4,4-trifluorobutyl)acetamide;hydrochloride
CID 119781580
N,N-dimethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanamide;hydrochloride
CID 119731272
N-(2-cyclohexylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119725744
N-(2-methylsulfinylethyl)-2-pyrrolidin-2-ylacetamide
CID 115739238
N-octyl-2-pyrrolidin-2-ylacetamide
CID 115567860
2-pyrrolidin-2-yl-N-(2,2,4-trimethylpentyl)acetamide
CID 115160242
4,4-dimethyl-6-(propanoylamino)hexanoic acid
CID 65284298

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-[(2-pyrrolidin-2-ylacetyl)amino]hexanoic acid?
The IUPAC name of 4,4-dimethyl-6-[(2-pyrrolidin-2-ylacetyl)amino]hexanoic acid (CID 65285697) is 4,4-dimethyl-6-[(2-pyrrolidin-2-ylacetyl)amino]hexanoic acid.
What is the SMILES notation for 4,4-dimethyl-6-[(2-pyrrolidin-2-ylacetyl)amino]hexanoic acid?
The canonical SMILES for 4,4-dimethyl-6-[(2-pyrrolidin-2-ylacetyl)amino]hexanoic acid is CC(C)(CCNC(=O)CC1CCCN1)CCC(=O)O.
What is the InChIKey of 4,4-dimethyl-6-[(2-pyrrolidin-2-ylacetyl)amino]hexanoic acid?
The InChIKey is VFBRUEFQGOODNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-14(2,6-5-13(18)19)7-9-16-12(17)10-11-4-3-8-15-11/h11,15H,3-10H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 4,4-dimethyl-6-[(2-pyrrolidin-2-ylacetyl)amino]hexanoic acid?
4,4-dimethyl-6-[(2-pyrrolidin-2-ylacetyl)amino]hexanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.53, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6-[(2-pyrrolidin-2-ylacetyl)amino]hexanoic acid is sourced from PubChem (CID 65285697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).