2-[cyclopropyl-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]acetic acid

C13H21N3O4 — CID 106320560

IUPAC2-[cyclopropyl-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]acetic acid
SMILESCNC(=O)C1(C)CCN(C(=O)N(CC(=O)O)C2CC2)C1
InChIInChI=1S/C13H21N3O4/c1-13(11(19)14-2)5-6-15(8-13)12(20)16(7-10(17)18)9-3-4-9/h9H,3-8H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyATAHWOHIAKMJTB-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.11
Rot. Bonds4

About 2-[cyclopropyl-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]acetic acid

2-[cyclopropyl-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]acetic acid (PubChem CID 106320560) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[cyclopropyl-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]acetic acid
PubChem CID106320560
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name2-[cyclopropyl-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]acetic acid
SMILESCNC(=O)C1(C)CCN(C(=O)N(CC(=O)O)C2CC2)C1
InChIInChI=1S/C13H21N3O4/c1-13(11(19)14-2)5-6-15(8-13)12(20)16(7-10(17)18)9-3-4-9/h9H,3-8H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyATAHWOHIAKMJTB-UHFFFAOYSA-N
XLogP0.11
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]acetic acid (CID 106320560) is 2-[cyclopropyl-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]acetic acid is CNC(=O)C1(C)CCN(C(=O)N(CC(=O)O)C2CC2)C1.
What is the InChIKey of 2-[cyclopropyl-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]acetic acid?
The InChIKey is ATAHWOHIAKMJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-13(11(19)14-2)5-6-15(8-13)12(20)16(7-10(17)18)9-3-4-9/h9H,3-8H2,1-2H3,(H,14,19)(H,17,18).
What are the key properties of 2-[cyclopropyl-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]acetic acid?
2-[cyclopropyl-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]acetic acid has a molecular weight of 283.33 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]acetic acid is sourced from PubChem (CID 106320560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).