2-[benzyl-[2-[(2-methylpyrazol-3-yl)amino]-2-oxoethyl]amino]acetic acid

C15H18N4O3 — CID 2738391

IUPAC2-[benzyl-[2-[(2-methylpyrazol-3-yl)amino]-2-oxoethyl]amino]acetic acid
SMILESCn1nccc1NC(=O)CN(CC(=O)O)Cc1ccccc1
InChIInChI=1S/C15H18N4O3/c1-18-13(7-8-16-18)17-14(20)10-19(11-15(21)22)9-12-5-3-2-4-6-12/h2-8H,9-11H2,1H3,(H,17,20)(H,21,22)
InChIKeyUYVRYZHZRQHVFS-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.95
Rot. Bonds7

About 2-[benzyl-[2-[(2-methylpyrazol-3-yl)amino]-2-oxoethyl]amino]acetic acid

2-[benzyl-[2-[(2-methylpyrazol-3-yl)amino]-2-oxoethyl]amino]acetic acid (PubChem CID 2738391) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-[benzyl-[2-[(2-methylpyrazol-3-yl)amino]-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[benzyl-[2-[(2-methylpyrazol-3-yl)amino]-2-oxoethyl]amino]acetic acid
PubChem CID2738391
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name2-[benzyl-[2-[(2-methylpyrazol-3-yl)amino]-2-oxoethyl]amino]acetic acid
SMILESCn1nccc1NC(=O)CN(CC(=O)O)Cc1ccccc1
InChIInChI=1S/C15H18N4O3/c1-18-13(7-8-16-18)17-14(20)10-19(11-15(21)22)9-12-5-3-2-4-6-12/h2-8H,9-11H2,1H3,(H,17,20)(H,21,22)
InChIKeyUYVRYZHZRQHVFS-UHFFFAOYSA-N
XLogP0.95
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-[(2-methylpyrazol-3-yl)amino]-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[benzyl-[2-[(2-methylpyrazol-3-yl)amino]-2-oxoethyl]amino]acetic acid (CID 2738391) is 2-[benzyl-[2-[(2-methylpyrazol-3-yl)amino]-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[benzyl-[2-[(2-methylpyrazol-3-yl)amino]-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[benzyl-[2-[(2-methylpyrazol-3-yl)amino]-2-oxoethyl]amino]acetic acid is Cn1nccc1NC(=O)CN(CC(=O)O)Cc1ccccc1.
What is the InChIKey of 2-[benzyl-[2-[(2-methylpyrazol-3-yl)amino]-2-oxoethyl]amino]acetic acid?
The InChIKey is UYVRYZHZRQHVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-18-13(7-8-16-18)17-14(20)10-19(11-15(21)22)9-12-5-3-2-4-6-12/h2-8H,9-11H2,1H3,(H,17,20)(H,21,22).
What are the key properties of 2-[benzyl-[2-[(2-methylpyrazol-3-yl)amino]-2-oxoethyl]amino]acetic acid?
2-[benzyl-[2-[(2-methylpyrazol-3-yl)amino]-2-oxoethyl]amino]acetic acid has a molecular weight of 302.33 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[2-[(2-methylpyrazol-3-yl)amino]-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 2738391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).