2-[(2-methylpyrrolidine-1-carbonyl)amino]pentanoic acid

C11H20N2O3 — CID 61207647

IUPAC2-[(2-methylpyrrolidine-1-carbonyl)amino]pentanoic acid
SMILESCCCC(NC(=O)N1CCCC1C)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-3-5-9(10(14)15)12-11(16)13-7-4-6-8(13)2/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyVAXKNXJVZZTOEA-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.43
Rot. Bonds4

About 2-[(2-methylpyrrolidine-1-carbonyl)amino]pentanoic acid

2-[(2-methylpyrrolidine-1-carbonyl)amino]pentanoic acid (PubChem CID 61207647) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[(2-methylpyrrolidine-1-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(2-methylpyrrolidine-1-carbonyl)amino]pentanoic acid
PubChem CID61207647
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[(2-methylpyrrolidine-1-carbonyl)amino]pentanoic acid
SMILESCCCC(NC(=O)N1CCCC1C)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-3-5-9(10(14)15)12-11(16)13-7-4-6-8(13)2/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyVAXKNXJVZZTOEA-UHFFFAOYSA-N
XLogP1.43
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(2-methylpiperidine-1-carbonyl)amino]pentanedioic acid
CID 61187712
(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]pentanoic acid
CID 107566820
(2R)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]pentanoic acid
CID 107567758
(2R)-2-[(2-methylpiperidine-1-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 104909758
(2S)-5-methoxy-2-[(2-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107825515
(2S)-2-[(2-carbamoylpiperidine-1-carbonyl)amino]pentanoic acid
CID 107566579
(2R)-2-[[2-(hydroxymethyl)azepane-1-carbonyl]amino]pentanoic acid
CID 107567722
(2S)-4-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]pentanoic acid
CID 61187523
(2S)-2-[(4-methylazepane-1-carbonyl)amino]pentanoic acid
CID 107566997
(2S)-2-[(2-methylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 61207464
(2S)-2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-hydroxybutanoic acid
CID 107826455
(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]hexanoic acid
CID 107145998

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpyrrolidine-1-carbonyl)amino]pentanoic acid?
The IUPAC name of 2-[(2-methylpyrrolidine-1-carbonyl)amino]pentanoic acid (CID 61207647) is 2-[(2-methylpyrrolidine-1-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 2-[(2-methylpyrrolidine-1-carbonyl)amino]pentanoic acid?
The canonical SMILES for 2-[(2-methylpyrrolidine-1-carbonyl)amino]pentanoic acid is CCCC(NC(=O)N1CCCC1C)C(=O)O.
What is the InChIKey of 2-[(2-methylpyrrolidine-1-carbonyl)amino]pentanoic acid?
The InChIKey is VAXKNXJVZZTOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-5-9(10(14)15)12-11(16)13-7-4-6-8(13)2/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 2-[(2-methylpyrrolidine-1-carbonyl)amino]pentanoic acid?
2-[(2-methylpyrrolidine-1-carbonyl)amino]pentanoic acid has a molecular weight of 228.29 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpyrrolidine-1-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 61207647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).