2-[2-methylpropyl-(1-methylpyrrolidine-3-carbonyl)amino]acetic acid

C12H22N2O3 — CID 63072028

IUPAC2-[2-methylpropyl-(1-methylpyrrolidine-3-carbonyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)C1CCN(C)C1
InChIInChI=1S/C12H22N2O3/c1-9(2)6-14(8-11(15)16)12(17)10-4-5-13(3)7-10/h9-10H,4-8H2,1-3H3,(H,15,16)
InChIKeyBYHWRZGQBULPHK-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.51
Rot. Bonds5

About 2-[2-methylpropyl-(1-methylpyrrolidine-3-carbonyl)amino]acetic acid

2-[2-methylpropyl-(1-methylpyrrolidine-3-carbonyl)amino]acetic acid (PubChem CID 63072028) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[2-methylpropyl-(1-methylpyrrolidine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl-(1-methylpyrrolidine-3-carbonyl)amino]acetic acid
PubChem CID63072028
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[2-methylpropyl-(1-methylpyrrolidine-3-carbonyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)C1CCN(C)C1
InChIInChI=1S/C12H22N2O3/c1-9(2)6-14(8-11(15)16)12(17)10-4-5-13(3)7-10/h9-10H,4-8H2,1-3H3,(H,15,16)
InChIKeyBYHWRZGQBULPHK-UHFFFAOYSA-N
XLogP0.51
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-ethylsulfonylpiperidine-4-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 119192749
1-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 106611146
2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 119193357
2-[2-methylpropyl-(1-methylpyrrolidin-3-yl)amino]acetic acid
CID 65063911
2-[(1-methylpiperidin-4-yl)-(2-methylpropyl)amino]acetic acid
CID 65063962
2-[2-methylpropyl-(3-methylpyrrolidine-1-carbonyl)amino]acetic acid
CID 63064206
2-[(2-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetic acid
CID 107175437
2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 63548304
2-[(3-ethylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 63064381
2-[(3-carbamoylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 63066843
2-[[2-(hydroxymethyl)piperidine-1-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 63065796
2-[2-methylpropyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid
CID 103869277

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl-(1-methylpyrrolidine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl-(1-methylpyrrolidine-3-carbonyl)amino]acetic acid (CID 63072028) is 2-[2-methylpropyl-(1-methylpyrrolidine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl-(1-methylpyrrolidine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl-(1-methylpyrrolidine-3-carbonyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)C1CCN(C)C1.
What is the InChIKey of 2-[2-methylpropyl-(1-methylpyrrolidine-3-carbonyl)amino]acetic acid?
The InChIKey is BYHWRZGQBULPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(2)6-14(8-11(15)16)12(17)10-4-5-13(3)7-10/h9-10H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 2-[2-methylpropyl-(1-methylpyrrolidine-3-carbonyl)amino]acetic acid?
2-[2-methylpropyl-(1-methylpyrrolidine-3-carbonyl)amino]acetic acid has a molecular weight of 242.32 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl-(1-methylpyrrolidine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 63072028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).