2-[(2-amino-2-oxoethyl)-(pyrimidine-5-carbonyl)amino]acetic acid

C9H10N4O4 — CID 107434520

IUPAC2-[(2-amino-2-oxoethyl)-(pyrimidine-5-carbonyl)amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)C(=O)c1cncnc1
InChIInChI=1S/C9H10N4O4/c10-7(14)3-13(4-8(15)16)9(17)6-1-11-5-12-2-6/h1-2,5H,3-4H2,(H2,10,14)(H,15,16)
InChIKeyFJAWNIMFRMNDLG-UHFFFAOYSA-N
MW238.20 g/mol
LogP-1.51
Rot. Bonds5

About 2-[(2-amino-2-oxoethyl)-(pyrimidine-5-carbonyl)amino]acetic acid

2-[(2-amino-2-oxoethyl)-(pyrimidine-5-carbonyl)amino]acetic acid (PubChem CID 107434520) has the molecular formula C9H10N4O4 and a molecular weight of 238.20 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(pyrimidine-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(pyrimidine-5-carbonyl)amino]acetic acid
PubChem CID107434520
Molecular FormulaC9H10N4O4
Molecular Weight238.20 g/mol
Exact Mass238.07
IUPAC Name2-[(2-amino-2-oxoethyl)-(pyrimidine-5-carbonyl)amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)C(=O)c1cncnc1
InChIInChI=1S/C9H10N4O4/c10-7(14)3-13(4-8(15)16)9(17)6-1-11-5-12-2-6/h1-2,5H,3-4H2,(H2,10,14)(H,15,16)
InChIKeyFJAWNIMFRMNDLG-UHFFFAOYSA-N
XLogP-1.51
TPSA126.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 5-1.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(dimethylamino)ethyl-(pyrimidine-5-carbonyl)amino]acetic acid
CID 107423918
2-[(2-amino-2-oxoethyl)-(3,4-dihydroxybenzoyl)amino]acetic acid
CID 107728235
2-[carboxymethyl-(5-fluoropyridine-3-carbonyl)amino]acetic acid
CID 104785578
2-[(2-amino-2-oxoethyl)-(4-methylsulfonylbenzoyl)amino]acetic acid
CID 107434144
2-[(2-amino-2-oxoethyl)-(4-nitrobenzoyl)amino]acetic acid
CID 107433891
2-[(2-amino-2-oxoethyl)-(4-chloro-3-fluorobenzoyl)amino]acetic acid
CID 107998136
N,N-bis(2-amino-2-oxoethyl)-1H-pyrazole-4-carboxamide
CID 62923169
2-[(2-amino-2-oxoethyl)-[4-(difluoromethoxy)benzoyl]amino]acetic acid
CID 107434577
2-[(2-amino-2-oxoethyl)-(1,2-oxazole-3-carbonyl)amino]acetic acid
CID 107434738
2-[(2-amino-2-oxoethyl)-(2-methyl-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 107433670
N,N-bis(2-amino-2-oxoethyl)-6-chloropyridine-3-carboxamide
CID 62923762
2-[[6-[5-[bis(carboxymethyl)carbamoyl]-2-pyridinyl]pyridine-3-carbonyl]-(carboxymethyl)amino]acetic acid
CID 101054460

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(pyrimidine-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(pyrimidine-5-carbonyl)amino]acetic acid (CID 107434520) is 2-[(2-amino-2-oxoethyl)-(pyrimidine-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(pyrimidine-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(pyrimidine-5-carbonyl)amino]acetic acid is NC(=O)CN(CC(=O)O)C(=O)c1cncnc1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(pyrimidine-5-carbonyl)amino]acetic acid?
The InChIKey is FJAWNIMFRMNDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O4/c10-7(14)3-13(4-8(15)16)9(17)6-1-11-5-12-2-6/h1-2,5H,3-4H2,(H2,10,14)(H,15,16).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(pyrimidine-5-carbonyl)amino]acetic acid?
2-[(2-amino-2-oxoethyl)-(pyrimidine-5-carbonyl)amino]acetic acid has a molecular weight of 238.20 g/mol, XLogP of -1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(pyrimidine-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 107434520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).