2-[[2-(quinazolin-4-ylamino)acetyl]amino]acetic acid

C12H12N4O3 — CID 21002376

IUPAC2-[[2-(quinazolin-4-ylamino)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNc1ncnc2ccccc12
InChIInChI=1S/C12H12N4O3/c17-10(13-6-11(18)19)5-14-12-8-3-1-2-4-9(8)15-7-16-12/h1-4,7H,5-6H2,(H,13,17)(H,18,19)(H,14,15,16)
InChIKeyIJXSBLUBNDXKBH-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.24
Rot. Bonds5

About 2-[[2-(quinazolin-4-ylamino)acetyl]amino]acetic acid

2-[[2-(quinazolin-4-ylamino)acetyl]amino]acetic acid (PubChem CID 21002376) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-[[2-(quinazolin-4-ylamino)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(quinazolin-4-ylamino)acetyl]amino]acetic acid
PubChem CID21002376
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name2-[[2-(quinazolin-4-ylamino)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNc1ncnc2ccccc12
InChIInChI=1S/C12H12N4O3/c17-10(13-6-11(18)19)5-14-12-8-3-1-2-4-9(8)15-7-16-12/h1-4,7H,5-6H2,(H,13,17)(H,18,19)(H,14,15,16)
InChIKeyIJXSBLUBNDXKBH-UHFFFAOYSA-N
XLogP0.24
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-propyl-2-(quinazolin-4-ylamino)acetamide
CID 39165546
N-(2-methylpropyl)-2-(quinazolin-4-ylamino)acetamide
CID 49226597
N-(pyridin-3-ylmethyl)-2-(quinazolin-4-ylamino)acetamide
CID 110436040
2-(quinazolin-4-ylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 110446261
N-(4-tert-butylphenyl)-2-(quinazolin-4-ylamino)acetamide
CID 110437164
N-(2-bromoprop-2-enyl)quinazolin-4-amine
CID 115594968
2-[(6-bromoquinazolin-4-yl)amino]acetic acid;hydrochloride
CID 18590558
2-[(quinazolin-4-ylamino)methyl]benzoic acid
CID 66776604
3-hydroxy-2-(quinazolin-4-ylamino)propanoic acid
CID 2789318
2-[(quinazolin-4-ylamino)methyl]butanoic acid
CID 65226835
2-methyl-4-(quinazolin-4-ylamino)butanoic acid
CID 80539709
N-tert-butyl-3-(quinazolin-4-ylamino)propanamide
CID 115609152

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(quinazolin-4-ylamino)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(quinazolin-4-ylamino)acetyl]amino]acetic acid (CID 21002376) is 2-[[2-(quinazolin-4-ylamino)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(quinazolin-4-ylamino)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(quinazolin-4-ylamino)acetyl]amino]acetic acid is O=C(O)CNC(=O)CNc1ncnc2ccccc12.
What is the InChIKey of 2-[[2-(quinazolin-4-ylamino)acetyl]amino]acetic acid?
The InChIKey is IJXSBLUBNDXKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c17-10(13-6-11(18)19)5-14-12-8-3-1-2-4-9(8)15-7-16-12/h1-4,7H,5-6H2,(H,13,17)(H,18,19)(H,14,15,16).
What are the key properties of 2-[[2-(quinazolin-4-ylamino)acetyl]amino]acetic acid?
2-[[2-(quinazolin-4-ylamino)acetyl]amino]acetic acid has a molecular weight of 260.25 g/mol, XLogP of 0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(quinazolin-4-ylamino)acetyl]amino]acetic acid is sourced from PubChem (CID 21002376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).