2-[carboxymethyl-(1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid

C11H20N2O4 — CID 65065595

IUPAC2-[carboxymethyl-(1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid
SMILESCC(C)N1CCC(N(CC(=O)O)CC(=O)O)C1
InChIInChI=1S/C11H20N2O4/c1-8(2)12-4-3-9(5-12)13(6-10(14)15)7-11(16)17/h8-9H,3-7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyFBRCUQCYQGAMHQ-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.06
Rot. Bonds6

About 2-[carboxymethyl-(1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid

2-[carboxymethyl-(1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid (PubChem CID 65065595) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[carboxymethyl-(1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-(1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid
PubChem CID65065595
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-[carboxymethyl-(1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid
SMILESCC(C)N1CCC(N(CC(=O)O)CC(=O)O)C1
InChIInChI=1S/C11H20N2O4/c1-8(2)12-4-3-9(5-12)13(6-10(14)15)7-11(16)17/h8-9H,3-7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyFBRCUQCYQGAMHQ-UHFFFAOYSA-N
XLogP-0.06
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-(1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-(1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid (CID 65065595) is 2-[carboxymethyl-(1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-(1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-(1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid is CC(C)N1CCC(N(CC(=O)O)CC(=O)O)C1.
What is the InChIKey of 2-[carboxymethyl-(1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid?
The InChIKey is FBRCUQCYQGAMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-8(2)12-4-3-9(5-12)13(6-10(14)15)7-11(16)17/h8-9H,3-7H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-[carboxymethyl-(1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid?
2-[carboxymethyl-(1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid has a molecular weight of 244.29 g/mol, XLogP of -0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-(1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid is sourced from PubChem (CID 65065595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).