2-[[3-methyl-1-[2-oxo-2-[(2-propylpyrazol-3-yl)amino]ethyl]pyrrolidin-3-yl]amino]acetic acid

C15H25N5O3 — CID 128994382

IUPAC2-[[3-methyl-1-[2-oxo-2-[(2-propylpyrazol-3-yl)amino]ethyl]pyrrolidin-3-yl]amino]acetic acid
SMILESCCCn1nccc1NC(=O)CN1CCC(C)(NCC(=O)O)C1
InChIInChI=1S/C15H25N5O3/c1-3-7-20-12(4-6-17-20)18-13(21)10-19-8-5-15(2,11-19)16-9-14(22)23/h4,6,16H,3,5,7-11H2,1-2H3,(H,18,21)(H,22,23)
InChIKeyAIZOLHLBTHFRQE-UHFFFAOYSA-N
MW323.40 g/mol
LogP0.37
Rot. Bonds8

About 2-[[3-methyl-1-[2-oxo-2-[(2-propylpyrazol-3-yl)amino]ethyl]pyrrolidin-3-yl]amino]acetic acid

2-[[3-methyl-1-[2-oxo-2-[(2-propylpyrazol-3-yl)amino]ethyl]pyrrolidin-3-yl]amino]acetic acid (PubChem CID 128994382) has the molecular formula C15H25N5O3 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[[3-methyl-1-[2-oxo-2-[(2-propylpyrazol-3-yl)amino]ethyl]pyrrolidin-3-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-methyl-1-[2-oxo-2-[(2-propylpyrazol-3-yl)amino]ethyl]pyrrolidin-3-yl]amino]acetic acid
PubChem CID128994382
Molecular FormulaC15H25N5O3
Molecular Weight323.40 g/mol
Exact Mass323.20
IUPAC Name2-[[3-methyl-1-[2-oxo-2-[(2-propylpyrazol-3-yl)amino]ethyl]pyrrolidin-3-yl]amino]acetic acid
SMILESCCCn1nccc1NC(=O)CN1CCC(C)(NCC(=O)O)C1
InChIInChI=1S/C15H25N5O3/c1-3-7-20-12(4-6-17-20)18-13(21)10-19-8-5-15(2,11-19)16-9-14(22)23/h4,6,16H,3,5,7-11H2,1-2H3,(H,18,21)(H,22,23)
InChIKeyAIZOLHLBTHFRQE-UHFFFAOYSA-N
XLogP0.37
TPSA99.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-methyl-1-[2-oxo-2-[(2-propylpyrazol-3-yl)amino]ethyl]pyrrolidin-3-yl]amino]acetic acid?
The IUPAC name of 2-[[3-methyl-1-[2-oxo-2-[(2-propylpyrazol-3-yl)amino]ethyl]pyrrolidin-3-yl]amino]acetic acid (CID 128994382) is 2-[[3-methyl-1-[2-oxo-2-[(2-propylpyrazol-3-yl)amino]ethyl]pyrrolidin-3-yl]amino]acetic acid.
What is the SMILES notation for 2-[[3-methyl-1-[2-oxo-2-[(2-propylpyrazol-3-yl)amino]ethyl]pyrrolidin-3-yl]amino]acetic acid?
The canonical SMILES for 2-[[3-methyl-1-[2-oxo-2-[(2-propylpyrazol-3-yl)amino]ethyl]pyrrolidin-3-yl]amino]acetic acid is CCCn1nccc1NC(=O)CN1CCC(C)(NCC(=O)O)C1.
What is the InChIKey of 2-[[3-methyl-1-[2-oxo-2-[(2-propylpyrazol-3-yl)amino]ethyl]pyrrolidin-3-yl]amino]acetic acid?
The InChIKey is AIZOLHLBTHFRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O3/c1-3-7-20-12(4-6-17-20)18-13(21)10-19-8-5-15(2,11-19)16-9-14(22)23/h4,6,16H,3,5,7-11H2,1-2H3,(H,18,21)(H,22,23).
What are the key properties of 2-[[3-methyl-1-[2-oxo-2-[(2-propylpyrazol-3-yl)amino]ethyl]pyrrolidin-3-yl]amino]acetic acid?
2-[[3-methyl-1-[2-oxo-2-[(2-propylpyrazol-3-yl)amino]ethyl]pyrrolidin-3-yl]amino]acetic acid has a molecular weight of 323.40 g/mol, XLogP of 0.37, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-methyl-1-[2-oxo-2-[(2-propylpyrazol-3-yl)amino]ethyl]pyrrolidin-3-yl]amino]acetic acid is sourced from PubChem (CID 128994382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).