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

C11H18N2O3 — CID 63142263

IUPAC2-cyclopropyl-2-[(3-methylpyrrolidine-3-carbonyl)amino]acetic acid
SMILESCC1(C(=O)NC(C(=O)O)C2CC2)CCNC1
InChIInChI=1S/C11H18N2O3/c1-11(4-5-12-6-11)10(16)13-8(9(14)15)7-2-3-7/h7-8,12H,2-6H2,1H3,(H,13,16)(H,14,15)
InChIKeyQPWXHHYTNIKSGJ-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.03
Rot. Bonds4

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

2-cyclopropyl-2-[(3-methylpyrrolidine-3-carbonyl)amino]acetic acid (PubChem CID 63142263) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(3-methylpyrrolidine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(3-methylpyrrolidine-3-carbonyl)amino]acetic acid
PubChem CID63142263
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-cyclopropyl-2-[(3-methylpyrrolidine-3-carbonyl)amino]acetic acid
SMILESCC1(C(=O)NC(C(=O)O)C2CC2)CCNC1
InChIInChI=1S/C11H18N2O3/c1-11(4-5-12-6-11)10(16)13-8(9(14)15)7-2-3-7/h7-8,12H,2-6H2,1H3,(H,13,16)(H,14,15)
InChIKeyQPWXHHYTNIKSGJ-UHFFFAOYSA-N
XLogP-0.03
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(3-methylpyrrolidine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(3-methylpyrrolidine-3-carbonyl)amino]acetic acid (CID 63142263) is 2-cyclopropyl-2-[(3-methylpyrrolidine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(3-methylpyrrolidine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(3-methylpyrrolidine-3-carbonyl)amino]acetic acid is CC1(C(=O)NC(C(=O)O)C2CC2)CCNC1.
What is the InChIKey of 2-cyclopropyl-2-[(3-methylpyrrolidine-3-carbonyl)amino]acetic acid?
The InChIKey is QPWXHHYTNIKSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-11(4-5-12-6-11)10(16)13-8(9(14)15)7-2-3-7/h7-8,12H,2-6H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 2-cyclopropyl-2-[(3-methylpyrrolidine-3-carbonyl)amino]acetic acid?
2-cyclopropyl-2-[(3-methylpyrrolidine-3-carbonyl)amino]acetic acid has a molecular weight of 226.28 g/mol, XLogP of -0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(3-methylpyrrolidine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 63142263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).