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

C12H22N2O3 — CID 63064206

IUPAC2-[2-methylpropyl-(3-methylpyrrolidine-1-carbonyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)N1CCC(C)C1
InChIInChI=1S/C12H22N2O3/c1-9(2)6-14(8-11(15)16)12(17)13-5-4-10(3)7-13/h9-10H,4-8H2,1-3H3,(H,15,16)
InChIKeyAFEVENMXJLVCND-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.49
Rot. Bonds4

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

2-[2-methylpropyl-(3-methylpyrrolidine-1-carbonyl)amino]acetic acid (PubChem CID 63064206) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[2-methylpropyl-(3-methylpyrrolidine-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl-(3-methylpyrrolidine-1-carbonyl)amino]acetic acid
PubChem CID63064206
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[2-methylpropyl-(3-methylpyrrolidine-1-carbonyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)N1CCC(C)C1
InChIInChI=1S/C12H22N2O3/c1-9(2)6-14(8-11(15)16)12(17)13-5-4-10(3)7-13/h9-10H,4-8H2,1-3H3,(H,15,16)
InChIKeyAFEVENMXJLVCND-UHFFFAOYSA-N
XLogP1.49
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-[(4-acetylpiperazine-1-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 63065252
2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 82016011
2-[carboxymethyl-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]acetic acid
CID 112626900
2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 81115479
2-[(4-tert-butylpiperazine-1-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 63064386
2-[2-methylpropyl-(1-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 63072028
3-methyl-5-(3-methylpyrrolidin-1-yl)-5-oxopentanoic acid
CID 62965956
2-[carboxymethyl-(3-propylpyrrolidine-1-carbonyl)amino]acetic acid
CID 113418333
2-[(3-hydroxypyrrolidine-1-carbonyl)-propylamino]acetic acid
CID 62944013

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl-(3-methylpyrrolidine-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl-(3-methylpyrrolidine-1-carbonyl)amino]acetic acid (CID 63064206) is 2-[2-methylpropyl-(3-methylpyrrolidine-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl-(3-methylpyrrolidine-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl-(3-methylpyrrolidine-1-carbonyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)N1CCC(C)C1.
What is the InChIKey of 2-[2-methylpropyl-(3-methylpyrrolidine-1-carbonyl)amino]acetic acid?
The InChIKey is AFEVENMXJLVCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(2)6-14(8-11(15)16)12(17)13-5-4-10(3)7-13/h9-10H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 2-[2-methylpropyl-(3-methylpyrrolidine-1-carbonyl)amino]acetic acid?
2-[2-methylpropyl-(3-methylpyrrolidine-1-carbonyl)amino]acetic acid has a molecular weight of 242.32 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl-(3-methylpyrrolidine-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 63064206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).