2-[[4-amino-1-(3-methoxypropyl)pyrazol-5-yl]amino]acetic acid

C9H16N4O3 — CID 58913976

IUPAC2-[[4-amino-1-(3-methoxypropyl)pyrazol-5-yl]amino]acetic acid
SMILESCOCCCn1ncc(N)c1NCC(=O)O
InChIInChI=1S/C9H16N4O3/c1-16-4-2-3-13-9(7(10)5-12-13)11-6-8(14)15/h5,11H,2-4,6,10H2,1H3,(H,14,15)
InChIKeyIVOSHKUVFBBLBX-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.00
Rot. Bonds7

About 2-[[4-amino-1-(3-methoxypropyl)pyrazol-5-yl]amino]acetic acid

2-[[4-amino-1-(3-methoxypropyl)pyrazol-5-yl]amino]acetic acid (PubChem CID 58913976) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-[[4-amino-1-(3-methoxypropyl)pyrazol-5-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-amino-1-(3-methoxypropyl)pyrazol-5-yl]amino]acetic acid
PubChem CID58913976
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC Name2-[[4-amino-1-(3-methoxypropyl)pyrazol-5-yl]amino]acetic acid
SMILESCOCCCn1ncc(N)c1NCC(=O)O
InChIInChI=1S/C9H16N4O3/c1-16-4-2-3-13-9(7(10)5-12-13)11-6-8(14)15/h5,11H,2-4,6,10H2,1H3,(H,14,15)
InChIKeyIVOSHKUVFBBLBX-UHFFFAOYSA-N
XLogP-0.00
TPSA102.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-1-(3-methoxypropyl)pyrazol-5-yl]amino]acetic acid?
The IUPAC name of 2-[[4-amino-1-(3-methoxypropyl)pyrazol-5-yl]amino]acetic acid (CID 58913976) is 2-[[4-amino-1-(3-methoxypropyl)pyrazol-5-yl]amino]acetic acid.
What is the SMILES notation for 2-[[4-amino-1-(3-methoxypropyl)pyrazol-5-yl]amino]acetic acid?
The canonical SMILES for 2-[[4-amino-1-(3-methoxypropyl)pyrazol-5-yl]amino]acetic acid is COCCCn1ncc(N)c1NCC(=O)O.
What is the InChIKey of 2-[[4-amino-1-(3-methoxypropyl)pyrazol-5-yl]amino]acetic acid?
The InChIKey is IVOSHKUVFBBLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c1-16-4-2-3-13-9(7(10)5-12-13)11-6-8(14)15/h5,11H,2-4,6,10H2,1H3,(H,14,15).
What are the key properties of 2-[[4-amino-1-(3-methoxypropyl)pyrazol-5-yl]amino]acetic acid?
2-[[4-amino-1-(3-methoxypropyl)pyrazol-5-yl]amino]acetic acid has a molecular weight of 228.25 g/mol, XLogP of -0.00, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-1-(3-methoxypropyl)pyrazol-5-yl]amino]acetic acid is sourced from PubChem (CID 58913976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).