2-[2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]ethoxy]acetic acid

C10H16N4O4 — CID 79463639

IUPAC2-[2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]ethoxy]acetic acid
SMILESCc1[nH]ncc1CNC(=O)NCCOCC(=O)O
InChIInChI=1S/C10H16N4O4/c1-7-8(5-13-14-7)4-12-10(17)11-2-3-18-6-9(15)16/h5H,2-4,6H2,1H3,(H,13,14)(H,15,16)(H2,11,12,17)
InChIKeyWWLWKRJFGFALJQ-UHFFFAOYSA-N
MW256.26 g/mol
LogP-0.38
Rot. Bonds7

About 2-[2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]ethoxy]acetic acid

2-[2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]ethoxy]acetic acid (PubChem CID 79463639) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-[2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]ethoxy]acetic acid
PubChem CID79463639
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Name2-[2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]ethoxy]acetic acid
SMILESCc1[nH]ncc1CNC(=O)NCCOCC(=O)O
InChIInChI=1S/C10H16N4O4/c1-7-8(5-13-14-7)4-12-10(17)11-2-3-18-6-9(15)16/h5H,2-4,6H2,1H3,(H,13,14)(H,15,16)(H2,11,12,17)
InChIKeyWWLWKRJFGFALJQ-UHFFFAOYSA-N
XLogP-0.38
TPSA116.34 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-0.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]ethoxy]acetic acid
CID 79457991
2-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethoxy]acetamide
CID 106236062
4-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid
CID 62047810
3-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]propanoic acid
CID 62040744
2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetic acid
CID 43663721
3,6-dimethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]benzoic acid
CID 103428946
1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62095591
2-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]sulfanylacetic acid
CID 104569662
(2S)-3,3-dimethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid
CID 54982755
2-methyl-5-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]benzoic acid
CID 63652843
2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]-3-oxopropanoic acid
CID 82821092
2-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidin-4-yl]oxyacetic acid
CID 63876974

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]ethoxy]acetic acid (CID 79463639) is 2-[2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]ethoxy]acetic acid is Cc1[nH]ncc1CNC(=O)NCCOCC(=O)O.
What is the InChIKey of 2-[2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]ethoxy]acetic acid?
The InChIKey is WWLWKRJFGFALJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-7-8(5-13-14-7)4-12-10(17)11-2-3-18-6-9(15)16/h5H,2-4,6H2,1H3,(H,13,14)(H,15,16)(H2,11,12,17).
What are the key properties of 2-[2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]ethoxy]acetic acid?
2-[2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]ethoxy]acetic acid has a molecular weight of 256.26 g/mol, XLogP of -0.38, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]ethoxy]acetic acid is sourced from PubChem (CID 79463639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).