(2R)-2-amino-2-(4-amino-2-oxopyrimidin-1-yl)propanoic acid

C7H10N4O3 — CID 57201884

IUPAC(2R)-2-amino-2-(4-amino-2-oxopyrimidin-1-yl)propanoic acid
SMILESC[C@](N)(C(=O)O)n1ccc(N)nc1=O
InChIInChI=1S/C7H10N4O3/c1-7(9,5(12)13)11-3-2-4(8)10-6(11)14/h2-3H,9H2,1H3,(H,12,13)(H2,8,10,14)/t7-/m1/s1
InChIKeyCWJBYPTWKAOCFC-SSDOTTSWSA-N
MW198.18 g/mol
LogP-1.46
Rot. Bonds2

About (2R)-2-amino-2-(4-amino-2-oxopyrimidin-1-yl)propanoic acid

(2R)-2-amino-2-(4-amino-2-oxopyrimidin-1-yl)propanoic acid (PubChem CID 57201884) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is (2R)-2-amino-2-(4-amino-2-oxopyrimidin-1-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(4-amino-2-oxopyrimidin-1-yl)propanoic acid
PubChem CID57201884
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC Name(2R)-2-amino-2-(4-amino-2-oxopyrimidin-1-yl)propanoic acid
SMILESC[C@](N)(C(=O)O)n1ccc(N)nc1=O
InChIInChI=1S/C7H10N4O3/c1-7(9,5(12)13)11-3-2-4(8)10-6(11)14/h2-3H,9H2,1H3,(H,12,13)(H2,8,10,14)/t7-/m1/s1
InChIKeyCWJBYPTWKAOCFC-SSDOTTSWSA-N
XLogP-1.46
TPSA124.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-1.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R)-2-amino-2-(4-amino-2-oxopyrimidin-1-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

(4-Amino-2-oxo-2H-pyrimidin-1-yl)-acetic acid
CID 21868458
(2S)-2-[3-(4-amino-2-oxopyrimidin-1-yl)propanoylamino]propanoic acid
CID 100972033
2-(4-Amino-2-oxopyrimidin-1-yl)propanoic acid
CID 14216904
Methyl 2-(4-amino-2-oxopyrimidin-1-yl)propanoate
CID 14216906
2-Amino-2-(4-amino-2-oxopyrimidin-1-yl)acetic acid
CID 22326327
Methyl 2-(4-amino-2-oxopyrimidin-1-yl)acetate
CID 39846551
2-[1-Aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
CID 69652104
4-amino-2-methyl-1H-pyrimidine-2-carboxylic acid
CID 152759569
2-[[2-(4-Amino-2-oxopyrimidin-1-yl)acetyl]-ethylamino]acetic acid
CID 69652106

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(4-amino-2-oxopyrimidin-1-yl)propanoic acid?
The IUPAC name of (2R)-2-amino-2-(4-amino-2-oxopyrimidin-1-yl)propanoic acid (CID 57201884) is (2R)-2-amino-2-(4-amino-2-oxopyrimidin-1-yl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-2-(4-amino-2-oxopyrimidin-1-yl)propanoic acid?
The canonical SMILES for (2R)-2-amino-2-(4-amino-2-oxopyrimidin-1-yl)propanoic acid is C[C@](N)(C(=O)O)n1ccc(N)nc1=O.
What is the InChIKey of (2R)-2-amino-2-(4-amino-2-oxopyrimidin-1-yl)propanoic acid?
The InChIKey is CWJBYPTWKAOCFC-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H10N4O3/c1-7(9,5(12)13)11-3-2-4(8)10-6(11)14/h2-3H,9H2,1H3,(H,12,13)(H2,8,10,14)/t7-/m1/s1.
What are the key properties of (2R)-2-amino-2-(4-amino-2-oxopyrimidin-1-yl)propanoic acid?
(2R)-2-amino-2-(4-amino-2-oxopyrimidin-1-yl)propanoic acid has a molecular weight of 198.18 g/mol, XLogP of -1.46, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(4-amino-2-oxopyrimidin-1-yl)propanoic acid is sourced from PubChem (CID 57201884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).