6-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid

C15H28N2O3 — CID 79180887

IUPAC6-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid
SMILESCC1CN(C(=O)NCCC(C)(C)CCC(=O)O)CC1C
InChIInChI=1S/C15H28N2O3/c1-11-9-17(10-12(11)2)14(20)16-8-7-15(3,4)6-5-13(18)19/h11-12H,5-10H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyMHLBSKVQDOXJHN-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.56
Rot. Bonds6

About 6-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid

6-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid (PubChem CID 79180887) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 6-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid.

Molecular Properties

Compound Name6-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid
PubChem CID79180887
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name6-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid
SMILESCC1CN(C(=O)NCCC(C)(C)CCC(=O)O)CC1C
InChIInChI=1S/C15H28N2O3/c1-11-9-17(10-12(11)2)14(20)16-8-7-15(3,4)6-5-13(18)19/h11-12H,5-10H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyMHLBSKVQDOXJHN-UHFFFAOYSA-N
XLogP2.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 102962215
6-[(3,4-dimethylpiperazine-1-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 65289367
6-[(4-aminopiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 65289949
6-[(4-ethylpiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 65290004
4,4-dimethyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 65284445
4,4-dimethyl-6-[(1-methylpyrrolidin-3-yl)carbamoylamino]hexanoic acid
CID 65287791
4-[(2,6-dimethylmorpholine-4-carbonyl)amino]butanoic acid
CID 61187052
5-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 82013036
4,4-dimethyl-6-(propanoylamino)hexanoic acid
CID 65284298
6-(2-cyclopropylpropanoylamino)-4,4-dimethylhexanoic acid
CID 83147001
4-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]butanoic acid
CID 81475356
4,4-dimethyl-6-[(5-methyloxolane-3-carbonyl)amino]hexanoic acid
CID 114824492

Frequently Asked Questions

What is the IUPAC name of 6-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid?
The IUPAC name of 6-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid (CID 79180887) is 6-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid.
What is the SMILES notation for 6-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid?
The canonical SMILES for 6-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid is CC1CN(C(=O)NCCC(C)(C)CCC(=O)O)CC1C.
What is the InChIKey of 6-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid?
The InChIKey is MHLBSKVQDOXJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-11-9-17(10-12(11)2)14(20)16-8-7-15(3,4)6-5-13(18)19/h11-12H,5-10H2,1-4H3,(H,16,20)(H,18,19).
What are the key properties of 6-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid?
6-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid is sourced from PubChem (CID 79180887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).