2-[2-(4-amino-6-oxo-1H-pyridin-2-yl)ethylcarbamoylamino]acetic acid

C10H14N4O4 — CID 141429908

IUPAC2-[2-(4-amino-6-oxo-1H-pyridin-2-yl)ethylcarbamoylamino]acetic acid
SMILESNc1cc(CCNC(=O)NCC(=O)O)[nH]c(=O)c1
InChIInChI=1S/C10H14N4O4/c11-6-3-7(14-8(15)4-6)1-2-12-10(18)13-5-9(16)17/h3-4H,1-2,5H2,(H,16,17)(H3,11,14,15)(H2,12,13,18)
InChIKeyLSKQFUXCBXTAOM-UHFFFAOYSA-N
MW254.25 g/mol
LogP-1.12
Rot. Bonds5

About 2-[2-(4-amino-6-oxo-1H-pyridin-2-yl)ethylcarbamoylamino]acetic acid

2-[2-(4-amino-6-oxo-1H-pyridin-2-yl)ethylcarbamoylamino]acetic acid (PubChem CID 141429908) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-[2-(4-amino-6-oxo-1H-pyridin-2-yl)ethylcarbamoylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(4-amino-6-oxo-1H-pyridin-2-yl)ethylcarbamoylamino]acetic acid
PubChem CID141429908
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name2-[2-(4-amino-6-oxo-1H-pyridin-2-yl)ethylcarbamoylamino]acetic acid
SMILESNc1cc(CCNC(=O)NCC(=O)O)[nH]c(=O)c1
InChIInChI=1S/C10H14N4O4/c11-6-3-7(14-8(15)4-6)1-2-12-10(18)13-5-9(16)17/h3-4H,1-2,5H2,(H,16,17)(H3,11,14,15)(H2,12,13,18)
InChIKeyLSKQFUXCBXTAOM-UHFFFAOYSA-N
XLogP-1.12
TPSA137.31 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-1.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-(4-amino-6-oxo-1H-pyridin-2-yl)ethylcarbamoylamino]acetate
CID 141447217
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid
CID 43354559
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid
CID 43355430
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]acetic acid
CID 43356391
2-[[2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetyl]amino]acetic acid
CID 43465493
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoic acid
CID 43469527
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]acetic acid
CID 54901468
(2R)-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid
CID 54990464
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-propan-2-ylamino]acetic acid
CID 60831693
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-propylamino]acetic acid
CID 61006698
2-[carboxymethyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid
CID 63645903
(2R)-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoic acid
CID 65809200

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-amino-6-oxo-1H-pyridin-2-yl)ethylcarbamoylamino]acetic acid?
The IUPAC name of 2-[2-(4-amino-6-oxo-1H-pyridin-2-yl)ethylcarbamoylamino]acetic acid (CID 141429908) is 2-[2-(4-amino-6-oxo-1H-pyridin-2-yl)ethylcarbamoylamino]acetic acid.
What is the SMILES notation for 2-[2-(4-amino-6-oxo-1H-pyridin-2-yl)ethylcarbamoylamino]acetic acid?
The canonical SMILES for 2-[2-(4-amino-6-oxo-1H-pyridin-2-yl)ethylcarbamoylamino]acetic acid is Nc1cc(CCNC(=O)NCC(=O)O)[nH]c(=O)c1.
What is the InChIKey of 2-[2-(4-amino-6-oxo-1H-pyridin-2-yl)ethylcarbamoylamino]acetic acid?
The InChIKey is LSKQFUXCBXTAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c11-6-3-7(14-8(15)4-6)1-2-12-10(18)13-5-9(16)17/h3-4H,1-2,5H2,(H,16,17)(H3,11,14,15)(H2,12,13,18).
What are the key properties of 2-[2-(4-amino-6-oxo-1H-pyridin-2-yl)ethylcarbamoylamino]acetic acid?
2-[2-(4-amino-6-oxo-1H-pyridin-2-yl)ethylcarbamoylamino]acetic acid has a molecular weight of 254.25 g/mol, XLogP of -1.12, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-amino-6-oxo-1H-pyridin-2-yl)ethylcarbamoylamino]acetic acid is sourced from PubChem (CID 141429908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).