(2S)-2-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid

C7H9N3O4 — CID 11390010

IUPAC(2S)-2-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid
SMILESN[C@@H](Cc1c[nH]c(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C7H9N3O4/c8-4(6(12)13)1-3-2-9-7(14)10-5(3)11/h2,4H,1,8H2,(H,12,13)(H2,9,10,11,14)/t4-/m0/s1
InChIKeyMADBMKNEPDPYIO-BYPYZUCNSA-N
MW199.17 g/mol
LogP-1.98
Rot. Bonds3

About (2S)-2-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid

(2S)-2-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid (PubChem CID 11390010) has the molecular formula C7H9N3O4 and a molecular weight of 199.17 g/mol. Its IUPAC name is (2S)-2-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid
PubChem CID11390010
Molecular FormulaC7H9N3O4
Molecular Weight199.17 g/mol
Exact Mass199.06
IUPAC Name(2S)-2-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid
SMILESN[C@@H](Cc1c[nH]c(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C7H9N3O4/c8-4(6(12)13)1-3-2-9-7(14)10-5(3)11/h2,4H,1,8H2,(H,12,13)(H2,9,10,11,14)/t4-/m0/s1
InChIKeyMADBMKNEPDPYIO-BYPYZUCNSA-N
XLogP-1.98
TPSA129.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 5-1.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid
CID 253740
2-Amino-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)propanoic acid hydrochloride
CID 138991852
2-Amino-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-oxopentanoic acid
CID 58503440
2-amino-4-(2,4-dioxo-1H-pyrimidin-5-yl)butanoic acid
CID 304560
L-Glutamic acid,N-[(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)methyl]-
CID 53471723
3-(2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-(2,2,2-trifluoroacetamido)propanoic acid
CID 167718630
2-Amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)pentanoic acid
CID 21588565
(2S)-2-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)pentanoic acid
CID 15518556
3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid
CID 18970257
3-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid
CID 55255381
3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methylpropanoic acid
CID 150036761
3-(1-Chloro-2,4-dioxopyrimidin-5-yl)propanoic acid
CID 152429319

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid (CID 11390010) is (2S)-2-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid is N[C@@H](Cc1c[nH]c(=O)[nH]c1=O)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid?
The InChIKey is MADBMKNEPDPYIO-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H9N3O4/c8-4(6(12)13)1-3-2-9-7(14)10-5(3)11/h2,4H,1,8H2,(H,12,13)(H2,9,10,11,14)/t4-/m0/s1.
What are the key properties of (2S)-2-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid?
(2S)-2-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid has a molecular weight of 199.17 g/mol, XLogP of -1.98, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid is sourced from PubChem (CID 11390010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).