2-aminopropanoic acid;1H-pyrimidine-2,4-dione

C7H11N3O4 — CID 67066163

IUPAC2-aminopropanoic acid;1H-pyrimidine-2,4-dione
SMILESCC(N)C(=O)O.O=c1cc[nH]c(=O)[nH]1
InChIInChI=1S/C4H4N2O2.C3H7NO2/c7-3-1-2-5-4(8)6-3;1-2(4)3(5)6/h1-2H,(H2,5,6,7,8);2H,4H2,1H3,(H,5,6)
InChIKeySPMBWQJCGFTPKO-UHFFFAOYSA-N
MW201.18 g/mol
LogP-1.52
Rot. Bonds1

About 2-aminopropanoic acid;1H-pyrimidine-2,4-dione

2-aminopropanoic acid;1H-pyrimidine-2,4-dione (PubChem CID 67066163) has the molecular formula C7H11N3O4 and a molecular weight of 201.18 g/mol. Its IUPAC name is 2-aminopropanoic acid;1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name2-aminopropanoic acid;1H-pyrimidine-2,4-dione
PubChem CID67066163
Molecular FormulaC7H11N3O4
Molecular Weight201.18 g/mol
Exact Mass201.07
IUPAC Name2-aminopropanoic acid;1H-pyrimidine-2,4-dione
SMILESCC(N)C(=O)O.O=c1cc[nH]c(=O)[nH]1
InChIInChI=1S/C4H4N2O2.C3H7NO2/c7-3-1-2-5-4(8)6-3;1-2(4)3(5)6/h1-2H,(H2,5,6,7,8);2H,4H2,1H3,(H,5,6)
InChIKeySPMBWQJCGFTPKO-UHFFFAOYSA-N
XLogP-1.52
TPSA129.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 5-1.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Uracil-1-yl)-L-alanine
CID 440053
DL-Willardiine
CID 5123
2-amino-3-(2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid
CID 4479246
(2S)-2-azaniumyl-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate
CID 25200769
(S)-2-Amino-3-(3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoic acid
CID 11095939
3-[3-(2-Carboxyethyl)-2,4-Dioxo-3,4-Dihydropyrimidin-1(2h)-Yl]-L-Alanine
CID 11076522
1-(2-Carboxyethyl)uracil
CID 96419
(alphaS)-alpha-Amino-3,6-dihydro-2,6-dioxo-1(2H)-pyrimidinepropanoic acid
CID 167983
(R)-1-(2-amino-2-carboxyethyl)-3-(2-carboxyethyl)pyrimidine-2,4-dione
CID 11021987
(S)-2-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido)propanamido)acetic acid
CID 44413656
1-(3'-Amino-3'-carboxypropyl)uracil
CID 129661
(2S)-3-(2,4-dioxopyrimidin-1-yl)-2-(fluoroamino)propanoic acid
CID 54405839

Frequently Asked Questions

What is the IUPAC name of 2-aminopropanoic acid;1H-pyrimidine-2,4-dione?
The IUPAC name of 2-aminopropanoic acid;1H-pyrimidine-2,4-dione (CID 67066163) is 2-aminopropanoic acid;1H-pyrimidine-2,4-dione.
What is the SMILES notation for 2-aminopropanoic acid;1H-pyrimidine-2,4-dione?
The canonical SMILES for 2-aminopropanoic acid;1H-pyrimidine-2,4-dione is CC(N)C(=O)O.O=c1cc[nH]c(=O)[nH]1.
What is the InChIKey of 2-aminopropanoic acid;1H-pyrimidine-2,4-dione?
The InChIKey is SPMBWQJCGFTPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2.C3H7NO2/c7-3-1-2-5-4(8)6-3;1-2(4)3(5)6/h1-2H,(H2,5,6,7,8);2H,4H2,1H3,(H,5,6).
What are the key properties of 2-aminopropanoic acid;1H-pyrimidine-2,4-dione?
2-aminopropanoic acid;1H-pyrimidine-2,4-dione has a molecular weight of 201.18 g/mol, XLogP of -1.52, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopropanoic acid;1H-pyrimidine-2,4-dione is sourced from PubChem (CID 67066163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).