2-[methyl(pyrrolidin-3-yl)amino]pentanoic acid

C10H20N2O2 — CID 83049954

IUPAC2-[methyl(pyrrolidin-3-yl)amino]pentanoic acid
SMILESCCCC(C(=O)O)N(C)C1CCNC1
InChIInChI=1S/C10H20N2O2/c1-3-4-9(10(13)14)12(2)8-5-6-11-7-8/h8-9,11H,3-7H2,1-2H3,(H,13,14)
InChIKeyRDDBYLFXIYLKHB-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.53
Rot. Bonds5

About 2-[methyl(pyrrolidin-3-yl)amino]pentanoic acid

2-[methyl(pyrrolidin-3-yl)amino]pentanoic acid (PubChem CID 83049954) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-[methyl(pyrrolidin-3-yl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[methyl(pyrrolidin-3-yl)amino]pentanoic acid
PubChem CID83049954
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-[methyl(pyrrolidin-3-yl)amino]pentanoic acid
SMILESCCCC(C(=O)O)N(C)C1CCNC1
InChIInChI=1S/C10H20N2O2/c1-3-4-9(10(13)14)12(2)8-5-6-11-7-8/h8-9,11H,3-7H2,1-2H3,(H,13,14)
InChIKeyRDDBYLFXIYLKHB-UHFFFAOYSA-N
XLogP0.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[methyl(pyrrolidin-3-yl)amino]pentanoate
CID 83049855
(2S)-3-hydroxy-2-[methyl(piperidin-4-yl)amino]propanoic acid
CID 121482131
ethyl 2-[azepan-4-yl(methyl)amino]pentanoate
CID 107173439
ethyl 2-[methyl(pyrrolidin-3-yl)amino]propanoate
CID 63301878
2-[methyl-(3-methylcyclohexyl)amino]pentanoic acid
CID 83040975
2-[methyl(pyrrolidin-3-yl)amino]propan-1-ol
CID 104556943
2-[methyl(piperidin-3-yl)amino]butanamide
CID 63643022
N-methyl-N-pyrrolidin-3-ylpropanamide
CID 60807525
N-heptan-4-yl-N-methylpiperidin-3-amine
CID 63644400
methyl-[(3S)-pyrrolidin-3-yl]carbamic acid
CID 66936290
(2R)-2-(carbamoylamino)-N-methyl-N-pyrrolidin-3-ylpentanamide
CID 119552995
N-ethyl-N-piperidin-4-yl-2-propylpentanamide
CID 82986952

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pyrrolidin-3-yl)amino]pentanoic acid?
The IUPAC name of 2-[methyl(pyrrolidin-3-yl)amino]pentanoic acid (CID 83049954) is 2-[methyl(pyrrolidin-3-yl)amino]pentanoic acid.
What is the SMILES notation for 2-[methyl(pyrrolidin-3-yl)amino]pentanoic acid?
The canonical SMILES for 2-[methyl(pyrrolidin-3-yl)amino]pentanoic acid is CCCC(C(=O)O)N(C)C1CCNC1.
What is the InChIKey of 2-[methyl(pyrrolidin-3-yl)amino]pentanoic acid?
The InChIKey is RDDBYLFXIYLKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-4-9(10(13)14)12(2)8-5-6-11-7-8/h8-9,11H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-[methyl(pyrrolidin-3-yl)amino]pentanoic acid?
2-[methyl(pyrrolidin-3-yl)amino]pentanoic acid has a molecular weight of 200.28 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pyrrolidin-3-yl)amino]pentanoic acid is sourced from PubChem (CID 83049954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).