2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]acetic acid

C8H12N4O3 — CID 115290299

IUPAC2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]acetic acid
SMILESCn1cc(C(N)C(=O)NCC(=O)O)cn1
InChIInChI=1S/C8H12N4O3/c1-12-4-5(2-11-12)7(9)8(15)10-3-6(13)14/h2,4,7H,3,9H2,1H3,(H,10,15)(H,13,14)
InChIKeyOHMBPBSUWQNSNZ-UHFFFAOYSA-N
MW212.21 g/mol
LogP-1.38
Rot. Bonds4

About 2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]acetic acid

2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]acetic acid (PubChem CID 115290299) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]acetic acid
PubChem CID115290299
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]acetic acid
SMILESCn1cc(C(N)C(=O)NCC(=O)O)cn1
InChIInChI=1S/C8H12N4O3/c1-12-4-5(2-11-12)7(9)8(15)10-3-6(13)14/h2,4,7H,3,9H2,1H3,(H,10,15)(H,13,14)
InChIKeyOHMBPBSUWQNSNZ-UHFFFAOYSA-N
XLogP-1.38
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-acetamidoethyl)-2-amino-2-(1-methylpyrazol-4-yl)acetamide
CID 113279811
6-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]hexanoic acid
CID 115290306
2-amino-N-(3-aminopropyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290433
2-amino-N-but-3-ynyl-2-(1-methylpyrazol-4-yl)acetamide
CID 115290756
5-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]pentanamide
CID 114162023
2-amino-2-(1-methylpyrazol-4-yl)-N-(2-propan-2-yloxyethyl)acetamide
CID 104761168
2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115360077
2-[[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]methyl]-2-ethylbutanoic acid
CID 115430335
2-amino-N-(3-ethoxypropyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289645
2-amino-N-(3-ethyl-2-hydroxypentyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 106286706
2-amino-N-(7-methyloctyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290422
2-amino-N-(2-methyl-2-phenylpropyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290258

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]acetic acid (CID 115290299) is 2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]acetic acid is Cn1cc(C(N)C(=O)NCC(=O)O)cn1.
What is the InChIKey of 2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]acetic acid?
The InChIKey is OHMBPBSUWQNSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c1-12-4-5(2-11-12)7(9)8(15)10-3-6(13)14/h2,4,7H,3,9H2,1H3,(H,10,15)(H,13,14).
What are the key properties of 2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]acetic acid?
2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]acetic acid has a molecular weight of 212.21 g/mol, XLogP of -1.38, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 115290299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).