2-[[2-(2-oxopyrimidin-1-yl)acetyl]-propan-2-ylamino]acetic acid

C11H15N3O4 — CID 60832213

IUPAC2-[[2-(2-oxopyrimidin-1-yl)acetyl]-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)Cn1cccnc1=O
InChIInChI=1S/C11H15N3O4/c1-8(2)14(7-10(16)17)9(15)6-13-5-3-4-12-11(13)18/h3-5,8H,6-7H2,1-2H3,(H,16,17)
InChIKeyONKPOLVTXBIWOC-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.44
Rot. Bonds5

About 2-[[2-(2-oxopyrimidin-1-yl)acetyl]-propan-2-ylamino]acetic acid

2-[[2-(2-oxopyrimidin-1-yl)acetyl]-propan-2-ylamino]acetic acid (PubChem CID 60832213) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[[2-(2-oxopyrimidin-1-yl)acetyl]-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2-oxopyrimidin-1-yl)acetyl]-propan-2-ylamino]acetic acid
PubChem CID60832213
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-[[2-(2-oxopyrimidin-1-yl)acetyl]-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)Cn1cccnc1=O
InChIInChI=1S/C11H15N3O4/c1-8(2)14(7-10(16)17)9(15)6-13-5-3-4-12-11(13)18/h3-5,8H,6-7H2,1-2H3,(H,16,17)
InChIKeyONKPOLVTXBIWOC-UHFFFAOYSA-N
XLogP-0.44
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(2-Oxopyrimidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258965
2-(2-oxopyrimidin-1(2H)-yl)propanoic acid
CID 16781247
2-(1-Oxido-2-oxopyrimidin-1-ium-1-yl)propanoic acid
CID 87639153
(2S)-2-(2-oxopyrimidin-1-yl)propanoic acid
CID 89414350
2-[formyl-[2-[methyl-[(Z)-1-[(Z)-prop-2-enylideneamino]prop-1-enyl]amino]ethyl]amino]acetic acid
CID 143199348
2-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]acetic acid
CID 43354446
2-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 43355310
2-[Methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
CID 43356265
Methyl 2-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate
CID 43431615
2-[[2-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]acetic acid
CID 43465323
2-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43469357
2-[4-[2-(2-Oxopyrimidin-1-yl)acetyl]piperazin-1-yl]acetic acid
CID 43521269

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-oxopyrimidin-1-yl)acetyl]-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[2-(2-oxopyrimidin-1-yl)acetyl]-propan-2-ylamino]acetic acid (CID 60832213) is 2-[[2-(2-oxopyrimidin-1-yl)acetyl]-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[2-(2-oxopyrimidin-1-yl)acetyl]-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[2-(2-oxopyrimidin-1-yl)acetyl]-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C(=O)Cn1cccnc1=O.
What is the InChIKey of 2-[[2-(2-oxopyrimidin-1-yl)acetyl]-propan-2-ylamino]acetic acid?
The InChIKey is ONKPOLVTXBIWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-8(2)14(7-10(16)17)9(15)6-13-5-3-4-12-11(13)18/h3-5,8H,6-7H2,1-2H3,(H,16,17).
What are the key properties of 2-[[2-(2-oxopyrimidin-1-yl)acetyl]-propan-2-ylamino]acetic acid?
2-[[2-(2-oxopyrimidin-1-yl)acetyl]-propan-2-ylamino]acetic acid has a molecular weight of 253.26 g/mol, XLogP of -0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-oxopyrimidin-1-yl)acetyl]-propan-2-ylamino]acetic acid is sourced from PubChem (CID 60832213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).