2-[[2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]-ethylamino]acetic acid

C10H14N4O5 — CID 143021574

IUPAC2-[[2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)CC(=O)Nc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H14N4O5/c1-2-14(5-8(16)17)4-7(15)12-6-3-11-10(19)13-9(6)18/h3H,2,4-5H2,1H3,(H,12,15)(H,16,17)(H2,11,13,18,19)
InChIKeyUVITXAWSOQDSGM-UHFFFAOYSA-N
MW270.24 g/mol
LogP-1.59
Rot. Bonds6

About 2-[[2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]-ethylamino]acetic acid

2-[[2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]-ethylamino]acetic acid (PubChem CID 143021574) has the molecular formula C10H14N4O5 and a molecular weight of 270.24 g/mol. Its IUPAC name is 2-[[2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]-ethylamino]acetic acid
PubChem CID143021574
Molecular FormulaC10H14N4O5
Molecular Weight270.24 g/mol
Exact Mass270.10
IUPAC Name2-[[2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)CC(=O)Nc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H14N4O5/c1-2-14(5-8(16)17)4-7(15)12-6-3-11-10(19)13-9(6)18/h3H,2,4-5H2,1H3,(H,12,15)(H,16,17)(H2,11,13,18,19)
InChIKeyUVITXAWSOQDSGM-UHFFFAOYSA-N
XLogP-1.59
TPSA135.36 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 5-1.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-[Bis(2-hydroxyethyl)amino]pyrimidine-2,4(1h,3h)-dione
CID 241440
2-[[(2S)-2-aminopropanoyl]amino]-2-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)acetic acid
CID 510393
N-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)carbonyl]glycine
CID 1202229
L-alanyl-2-(5-fluorouracil-1-yl)-D-glycine
CID 510392
2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido)acetic acid
CID 16037827
2-[5-[Bis(2-chloroethyl)amino]-2,4-dioxopyrimidin-1-yl]acetic acid
CID 10892265
Orotyl-glycyl-glycine
CID 12921164
(S)-2-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido)propanamido)acetic acid
CID 44413656
5-[(2-hydroxyethyl)(methyl)amino]pyrimidine-2,4(1H,3H)-dione
CID 7373407
L-alanyl-2-(5-fluorouracil-1-yl)-L-glycine
CID 510391
Methyl 2-(5-amino-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetate
CID 63799383
2(R)-(5-fluorouracil-1-yl)acetylglycin
CID 13876023

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]-ethylamino]acetic acid (CID 143021574) is 2-[[2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]-ethylamino]acetic acid is CCN(CC(=O)O)CC(=O)Nc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 2-[[2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]-ethylamino]acetic acid?
The InChIKey is UVITXAWSOQDSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O5/c1-2-14(5-8(16)17)4-7(15)12-6-3-11-10(19)13-9(6)18/h3H,2,4-5H2,1H3,(H,12,15)(H,16,17)(H2,11,13,18,19).
What are the key properties of 2-[[2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]-ethylamino]acetic acid?
2-[[2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]-ethylamino]acetic acid has a molecular weight of 270.24 g/mol, XLogP of -1.59, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]-ethylamino]acetic acid is sourced from PubChem (CID 143021574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).