2-[methyl-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]amino]acetic acid

C11H18N4O3 — CID 43442439

IUPAC2-[methyl-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]amino]acetic acid
SMILESCC(C)n1nccc1NC(=O)CN(C)CC(=O)O
InChIInChI=1S/C11H18N4O3/c1-8(2)15-9(4-5-12-15)13-10(16)6-14(3)7-11(17)18/h4-5,8H,6-7H2,1-3H3,(H,13,16)(H,17,18)
InChIKeyKSWNFZBQEBULCA-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.42
Rot. Bonds6

About 2-[methyl-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]amino]acetic acid

2-[methyl-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]amino]acetic acid (PubChem CID 43442439) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[methyl-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]amino]acetic acid
PubChem CID43442439
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name2-[methyl-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]amino]acetic acid
SMILESCC(C)n1nccc1NC(=O)CN(C)CC(=O)O
InChIInChI=1S/C11H18N4O3/c1-8(2)15-9(4-5-12-15)13-10(16)6-14(3)7-11(17)18/h4-5,8H,6-7H2,1-3H3,(H,13,16)(H,17,18)
InChIKeyKSWNFZBQEBULCA-UHFFFAOYSA-N
XLogP0.42
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]amino]acetic acid (CID 43442439) is 2-[methyl-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]amino]acetic acid is CC(C)n1nccc1NC(=O)CN(C)CC(=O)O.
What is the InChIKey of 2-[methyl-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]amino]acetic acid?
The InChIKey is KSWNFZBQEBULCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-8(2)15-9(4-5-12-15)13-10(16)6-14(3)7-11(17)18/h4-5,8H,6-7H2,1-3H3,(H,13,16)(H,17,18).
What are the key properties of 2-[methyl-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]amino]acetic acid?
2-[methyl-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]amino]acetic acid has a molecular weight of 254.29 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]amino]acetic acid is sourced from PubChem (CID 43442439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).