(2R)-2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]pentanoic acid

C12H22N2O3 — CID 107566957

IUPAC(2R)-2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)N1CCCC1(C)C)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-4-6-9(10(15)16)13-11(17)14-8-5-7-12(14,2)3/h9H,4-8H2,1-3H3,(H,13,17)(H,15,16)/t9-/m1/s1
InChIKeyADPFHXOSZZPQTK-SECBINFHSA-N
MW242.32 g/mol
LogP1.82
Rot. Bonds4

About (2R)-2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]pentanoic acid

(2R)-2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]pentanoic acid (PubChem CID 107566957) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is (2R)-2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]pentanoic acid
PubChem CID107566957
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name(2R)-2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)N1CCCC1(C)C)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-4-6-9(10(15)16)13-11(17)14-8-5-7-12(14,2)3/h9H,4-8H2,1-3H3,(H,13,17)(H,15,16)/t9-/m1/s1
InChIKeyADPFHXOSZZPQTK-SECBINFHSA-N
XLogP1.82
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,3-dimethylmorpholine-4-carbonyl)amino]pentanoic acid
CID 61428247
(2R)-2-[(3,3-dimethylpiperidine-1-carbonyl)amino]pentanoic acid
CID 107567056
(2R)-2-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]pentanoic acid
CID 107567866
2-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]pentanoic acid
CID 63162284
(2S)-2-[(4-acetyl-1,4-diazepane-1-carbonyl)amino]pentanoic acid
CID 107566616
2-[(4,4-dimethylazepane-1-carbonyl)amino]hexanoic acid
CID 65282412
2-(2,2-dimethylpyrrolidin-1-yl)pentanoic acid
CID 83041929
(2S)-4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybutanoic acid
CID 107839891
(2R)-2-[(1-methylcyclopropanecarbonyl)amino]pentanoic acid
CID 165451319
(2S)-2-[(4-methylpiperazine-1-carbonyl)amino]pentanoic acid
CID 107565857
(2S)-2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107826661
2,2-dimethyl-N-[(2S)-pent-4-en-2-yl]pyrrolidine-1-carboxamide
CID 99840092

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]pentanoic acid?
The IUPAC name of (2R)-2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]pentanoic acid (CID 107566957) is (2R)-2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2R)-2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]pentanoic acid is CCC[C@@H](NC(=O)N1CCCC1(C)C)C(=O)O.
What is the InChIKey of (2R)-2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]pentanoic acid?
The InChIKey is ADPFHXOSZZPQTK-SECBINFHSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-6-9(10(15)16)13-11(17)14-8-5-7-12(14,2)3/h9H,4-8H2,1-3H3,(H,13,17)(H,15,16)/t9-/m1/s1.
What are the key properties of (2R)-2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]pentanoic acid?
(2R)-2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]pentanoic acid has a molecular weight of 242.32 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 107566957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).