2-[acetyl(cyclopropyl)amino]-2-(1-propan-2-ylpyrazol-4-yl)acetic acid

C13H19N3O3 — CID 114075730

IUPAC2-[acetyl(cyclopropyl)amino]-2-(1-propan-2-ylpyrazol-4-yl)acetic acid
SMILESCC(=O)N(C1CC1)C(C(=O)O)c1cnn(C(C)C)c1
InChIInChI=1S/C13H19N3O3/c1-8(2)15-7-10(6-14-15)12(13(18)19)16(9(3)17)11-4-5-11/h6-8,11-12H,4-5H2,1-3H3,(H,18,19)
InChIKeyAQDBZOBSVZMIHN-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.60
Rot. Bonds5

About 2-[acetyl(cyclopropyl)amino]-2-(1-propan-2-ylpyrazol-4-yl)acetic acid

2-[acetyl(cyclopropyl)amino]-2-(1-propan-2-ylpyrazol-4-yl)acetic acid (PubChem CID 114075730) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[acetyl(cyclopropyl)amino]-2-(1-propan-2-ylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-[acetyl(cyclopropyl)amino]-2-(1-propan-2-ylpyrazol-4-yl)acetic acid
PubChem CID114075730
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[acetyl(cyclopropyl)amino]-2-(1-propan-2-ylpyrazol-4-yl)acetic acid
SMILESCC(=O)N(C1CC1)C(C(=O)O)c1cnn(C(C)C)c1
InChIInChI=1S/C13H19N3O3/c1-8(2)15-7-10(6-14-15)12(13(18)19)16(9(3)17)11-4-5-11/h6-8,11-12H,4-5H2,1-3H3,(H,18,19)
InChIKeyAQDBZOBSVZMIHN-UHFFFAOYSA-N
XLogP1.60
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(cyclopropyl)amino]-2-(1-propan-2-ylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-[acetyl(cyclopropyl)amino]-2-(1-propan-2-ylpyrazol-4-yl)acetic acid (CID 114075730) is 2-[acetyl(cyclopropyl)amino]-2-(1-propan-2-ylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-[acetyl(cyclopropyl)amino]-2-(1-propan-2-ylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-[acetyl(cyclopropyl)amino]-2-(1-propan-2-ylpyrazol-4-yl)acetic acid is CC(=O)N(C1CC1)C(C(=O)O)c1cnn(C(C)C)c1.
What is the InChIKey of 2-[acetyl(cyclopropyl)amino]-2-(1-propan-2-ylpyrazol-4-yl)acetic acid?
The InChIKey is AQDBZOBSVZMIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8(2)15-7-10(6-14-15)12(13(18)19)16(9(3)17)11-4-5-11/h6-8,11-12H,4-5H2,1-3H3,(H,18,19).
What are the key properties of 2-[acetyl(cyclopropyl)amino]-2-(1-propan-2-ylpyrazol-4-yl)acetic acid?
2-[acetyl(cyclopropyl)amino]-2-(1-propan-2-ylpyrazol-4-yl)acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(cyclopropyl)amino]-2-(1-propan-2-ylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 114075730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).