(2S)-2-[(3,3-dimethylpyrrolidine-1-carbonyl)amino]hexanoic acid

C13H24N2O3 — CID 107146319

IUPAC(2S)-2-[(3,3-dimethylpyrrolidine-1-carbonyl)amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)N1CCC(C)(C)C1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-4-5-6-10(11(16)17)14-12(18)15-8-7-13(2,3)9-15/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17)/t10-/m0/s1
InChIKeyWWENKJXYRLEWLA-JTQLQIEISA-N
MW256.35 g/mol
LogP2.07
Rot. Bonds5

About (2S)-2-[(3,3-dimethylpyrrolidine-1-carbonyl)amino]hexanoic acid

(2S)-2-[(3,3-dimethylpyrrolidine-1-carbonyl)amino]hexanoic acid (PubChem CID 107146319) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is (2S)-2-[(3,3-dimethylpyrrolidine-1-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3,3-dimethylpyrrolidine-1-carbonyl)amino]hexanoic acid
PubChem CID107146319
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name(2S)-2-[(3,3-dimethylpyrrolidine-1-carbonyl)amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)N1CCC(C)(C)C1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-4-5-6-10(11(16)17)14-12(18)15-8-7-13(2,3)9-15/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17)/t10-/m0/s1
InChIKeyWWENKJXYRLEWLA-JTQLQIEISA-N
XLogP2.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4,4-dimethylazepane-1-carbonyl)amino]hexanoic acid
CID 65282412
(2R)-2-[(3,3-dimethylpiperidine-1-carbonyl)amino]pentanoic acid
CID 107567056
(2R)-2-[(3,3-dimethylpyrrolidine-1-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107828378
(2S)-2-[(3,3-dimethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 78956516
2-[(4,4-dimethylazepane-1-carbonyl)amino]-5-methoxypentanoic acid
CID 81086424
2-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]pentanoic acid
CID 63162284
5-amino-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 62931188
(2R)-2-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]pentanoic acid
CID 107567866
(2S)-2-[(4-aminopiperidine-1-carbonyl)amino]hexanoic acid
CID 107145596
2-(1,4-oxazepane-4-carbonylamino)hexanoic acid
CID 62967980
(2S)-2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]hexanoic acid
CID 107146710
(2S)-2-[(4-methoxypiperidine-1-carbonyl)amino]hexanoic acid
CID 103082201

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3,3-dimethylpyrrolidine-1-carbonyl)amino]hexanoic acid?
The IUPAC name of (2S)-2-[(3,3-dimethylpyrrolidine-1-carbonyl)amino]hexanoic acid (CID 107146319) is (2S)-2-[(3,3-dimethylpyrrolidine-1-carbonyl)amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[(3,3-dimethylpyrrolidine-1-carbonyl)amino]hexanoic acid?
The canonical SMILES for (2S)-2-[(3,3-dimethylpyrrolidine-1-carbonyl)amino]hexanoic acid is CCCC[C@H](NC(=O)N1CCC(C)(C)C1)C(=O)O.
What is the InChIKey of (2S)-2-[(3,3-dimethylpyrrolidine-1-carbonyl)amino]hexanoic acid?
The InChIKey is WWENKJXYRLEWLA-JTQLQIEISA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-5-6-10(11(16)17)14-12(18)15-8-7-13(2,3)9-15/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17)/t10-/m0/s1.
What are the key properties of (2S)-2-[(3,3-dimethylpyrrolidine-1-carbonyl)amino]hexanoic acid?
(2S)-2-[(3,3-dimethylpyrrolidine-1-carbonyl)amino]hexanoic acid has a molecular weight of 256.35 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3,3-dimethylpyrrolidine-1-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 107146319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).