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

C14H18N4O4 — CID 119204817

IUPAC2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)Cc1c(C)nc2cc[nH]n2c1=O
InChIInChI=1S/C14H18N4O4/c1-3-6-17(8-13(20)21)12(19)7-10-9(2)16-11-4-5-15-18(11)14(10)22/h4-5,15H,3,6-8H2,1-2H3,(H,20,21)
InChIKeyTZSRZMPRRRLXEA-UHFFFAOYSA-N
MW306.32 g/mol
LogP0.20
Rot. Bonds6

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

2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]-propylamino]acetic acid (PubChem CID 119204817) 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]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]-propylamino]acetic acid
PubChem CID119204817
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]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)Cc1c(C)nc2cc[nH]n2c1=O
InChIInChI=1S/C14H18N4O4/c1-3-6-17(8-13(20)21)12(19)7-10-9(2)16-11-4-5-15-18(11)14(10)22/h4-5,15H,3,6-8H2,1-2H3,(H,20,21)
InChIKeyTZSRZMPRRRLXEA-UHFFFAOYSA-N
XLogP0.20
TPSA107.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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]-propylamino]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

Related Compounds

8-Oxo-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1(9),2,4-triene-12-carboxylic acid
CID 67455630
N,N-bis(3-methylbutyl)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 60255406
2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-pentan-2-yl-N-pentylacetamide
CID 60255718
tert-butyl 2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]-propylamino]acetate
CID 75456601
3-methyl-2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]butanoic acid
CID 119169844
1-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]piperidine-2-carboxylic acid
CID 119175779
4-methyl-2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]pentanoic acid
CID 119188028
2-[2-methoxyethyl-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]acetic acid
CID 119188914
3-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]-(2-methylpropyl)amino]propanoic acid
CID 119190017
3-[ethyl-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]propanoic acid
CID 119190905
2-methyl-2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]pentanoic acid
CID 119191881
2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]-(2-methylpropyl)amino]acetic acid
CID 119192684

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]-propylamino]acetic acid?
The IUPAC name of 2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]-propylamino]acetic acid (CID 119204817) is 2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)Cc1c(C)nc2cc[nH]n2c1=O.
What is the InChIKey of 2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]-propylamino]acetic acid?
The InChIKey is TZSRZMPRRRLXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4/c1-3-6-17(8-13(20)21)12(19)7-10-9(2)16-11-4-5-15-18(11)14(10)22/h4-5,15H,3,6-8H2,1-2H3,(H,20,21).
What are the key properties of 2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]-propylamino]acetic acid?
2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]-propylamino]acetic acid has a molecular weight of 306.32 g/mol, XLogP of 0.20, 6 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]-propylamino]acetic acid is sourced from PubChem (CID 119204817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).