4-methyl-2-[methyl-(1-methylpyrrolidin-3-yl)amino]pentanoic acid

C12H24N2O2 — CID 110838532

IUPAC4-methyl-2-[methyl-(1-methylpyrrolidin-3-yl)amino]pentanoic acid
SMILESCC(C)CC(C(=O)O)N(C)C1CCN(C)C1
InChIInChI=1S/C12H24N2O2/c1-9(2)7-11(12(15)16)14(4)10-5-6-13(3)8-10/h9-11H,5-8H2,1-4H3,(H,15,16)
InChIKeyARLWXVCVPZKIEB-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.12
Rot. Bonds5

About 4-methyl-2-[methyl-(1-methylpyrrolidin-3-yl)amino]pentanoic acid

4-methyl-2-[methyl-(1-methylpyrrolidin-3-yl)amino]pentanoic acid (PubChem CID 110838532) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-methyl-2-[methyl-(1-methylpyrrolidin-3-yl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[methyl-(1-methylpyrrolidin-3-yl)amino]pentanoic acid
PubChem CID110838532
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name4-methyl-2-[methyl-(1-methylpyrrolidin-3-yl)amino]pentanoic acid
SMILESCC(C)CC(C(=O)O)N(C)C1CCN(C)C1
InChIInChI=1S/C12H24N2O2/c1-9(2)7-11(12(15)16)14(4)10-5-6-13(3)8-10/h9-11H,5-8H2,1-4H3,(H,15,16)
InChIKeyARLWXVCVPZKIEB-UHFFFAOYSA-N
XLogP1.12
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-[methyl(oxolan-3-yl)amino]pentanoic acid
CID 110838535
(3R)-N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine
CID 129222465
2-[2-methylpropyl-(1-methylpyrrolidin-3-yl)amino]acetic acid
CID 65063911
2-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid
CID 79406516
3-N-methyl-3-N-(1-methylpyrrolidin-3-yl)butane-2,3-diamine
CID 130598367
4-amino-2-[cyclopropyl(methyl)amino]butanoic acid
CID 64692953
2-[cyclopropyl(formyl)amino]-4-methylpentanoic acid
CID 63687624
2-N,3-dimethyl-2-N-(1-methylpyrrolidin-3-yl)butane-1,2-diamine
CID 115138096
2-[methyl-(1-methylpiperidin-3-yl)amino]propanamide
CID 62900097
2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid
CID 63236412
(2S)-2-(dimethylamino)-4-methylpentanoic acid;hydrochloride
CID 138393753
(2R)-4-methyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]pentanoic acid
CID 63234972

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[methyl-(1-methylpyrrolidin-3-yl)amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[methyl-(1-methylpyrrolidin-3-yl)amino]pentanoic acid (CID 110838532) is 4-methyl-2-[methyl-(1-methylpyrrolidin-3-yl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[methyl-(1-methylpyrrolidin-3-yl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[methyl-(1-methylpyrrolidin-3-yl)amino]pentanoic acid is CC(C)CC(C(=O)O)N(C)C1CCN(C)C1.
What is the InChIKey of 4-methyl-2-[methyl-(1-methylpyrrolidin-3-yl)amino]pentanoic acid?
The InChIKey is ARLWXVCVPZKIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(2)7-11(12(15)16)14(4)10-5-6-13(3)8-10/h9-11H,5-8H2,1-4H3,(H,15,16).
What are the key properties of 4-methyl-2-[methyl-(1-methylpyrrolidin-3-yl)amino]pentanoic acid?
4-methyl-2-[methyl-(1-methylpyrrolidin-3-yl)amino]pentanoic acid has a molecular weight of 228.34 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[methyl-(1-methylpyrrolidin-3-yl)amino]pentanoic acid is sourced from PubChem (CID 110838532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).