2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]-propan-2-ylamino]acetic acid

C14H18N4O4 — CID 119198040

IUPAC2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]-propan-2-ylamino]acetic acid
SMILESCc1nc2cc[nH]n2c(=O)c1CC(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C14H18N4O4/c1-8(2)17(7-13(20)21)12(19)6-10-9(3)16-11-4-5-15-18(11)14(10)22/h4-5,8,15H,6-7H2,1-3H3,(H,20,21)
InChIKeyDJIDFIVQVIHSBN-UHFFFAOYSA-N
MW306.32 g/mol
LogP0.20
Rot. Bonds5

About 2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]-propan-2-ylamino]acetic acid

2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]-propan-2-ylamino]acetic acid (PubChem CID 119198040) has the molecular formula C14H18N4O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]-propan-2-ylamino]acetic acid
PubChem CID119198040
Molecular FormulaC14H18N4O4
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC Name2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]-propan-2-ylamino]acetic acid
SMILESCc1nc2cc[nH]n2c(=O)c1CC(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C14H18N4O4/c1-8(2)17(7-13(20)21)12(19)6-10-9(3)16-11-4-5-15-18(11)14(10)22/h4-5,8,15H,6-7H2,1-3H3,(H,20,21)
InChIKeyDJIDFIVQVIHSBN-UHFFFAOYSA-N
XLogP0.20
TPSA107.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]-propan-2-ylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]-propan-2-ylamino]acetic acid (CID 119198040) is 2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]-propan-2-ylamino]acetic acid is Cc1nc2cc[nH]n2c(=O)c1CC(=O)N(CC(=O)O)C(C)C.
What is the InChIKey of 2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]-propan-2-ylamino]acetic acid?
The InChIKey is DJIDFIVQVIHSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4/c1-8(2)17(7-13(20)21)12(19)6-10-9(3)16-11-4-5-15-18(11)14(10)22/h4-5,8,15H,6-7H2,1-3H3,(H,20,21).
What are the key properties of 2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]-propan-2-ylamino]acetic acid?
2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]-propan-2-ylamino]acetic acid has a molecular weight of 306.32 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]-propan-2-ylamino]acetic acid is sourced from PubChem (CID 119198040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).