(2S)-2-[2-(4-amino-2-oxopyrimidin-1-yl)propanoylamino]-3-hydroxypropanoic acid

C10H14N4O5 — CID 91341012

IUPAC(2S)-2-[2-(4-amino-2-oxopyrimidin-1-yl)propanoylamino]-3-hydroxypropanoic acid
SMILESCC(C(=O)N[C@@H](CO)C(=O)O)n1ccc(N)nc1=O
InChIInChI=1S/C10H14N4O5/c1-5(8(16)12-6(4-15)9(17)18)14-3-2-7(11)13-10(14)19/h2-3,5-6,15H,4H2,1H3,(H,12,16)(H,17,18)(H2,11,13,19)/t5?,6-/m0/s1
InChIKeyOFPAKVNSIYILAS-GDVGLLTNSA-N
MW270.25 g/mol
LogP-2.05
Rot. Bonds5

About (2S)-2-[2-(4-amino-2-oxopyrimidin-1-yl)propanoylamino]-3-hydroxypropanoic acid

(2S)-2-[2-(4-amino-2-oxopyrimidin-1-yl)propanoylamino]-3-hydroxypropanoic acid (PubChem CID 91341012) has the molecular formula C10H14N4O5 and a molecular weight of 270.25 g/mol. Its IUPAC name is (2S)-2-[2-(4-amino-2-oxopyrimidin-1-yl)propanoylamino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-[2-(4-amino-2-oxopyrimidin-1-yl)propanoylamino]-3-hydroxypropanoic acid
PubChem CID91341012
Molecular FormulaC10H14N4O5
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name(2S)-2-[2-(4-amino-2-oxopyrimidin-1-yl)propanoylamino]-3-hydroxypropanoic acid
SMILESCC(C(=O)N[C@@H](CO)C(=O)O)n1ccc(N)nc1=O
InChIInChI=1S/C10H14N4O5/c1-5(8(16)12-6(4-15)9(17)18)14-3-2-7(11)13-10(14)19/h2-3,5-6,15H,4H2,1H3,(H,12,16)(H,17,18)(H2,11,13,19)/t5?,6-/m0/s1
InChIKeyOFPAKVNSIYILAS-GDVGLLTNSA-N
XLogP-2.05
TPSA147.54 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 5-2.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2-(Methylamino)-ethylglycine-carbonylmethylene-cytosine
CID 4627777
N-[(4-amino-2-oxopyrimidin-1(2H)-yl)acetyl]-N-[(2S)-2-aminopropyl]glycine
CID 49866500
(2S)-2-[3-(4-amino-2-oxopyrimidin-1-yl)propanoylamino]propanoic acid
CID 100972033
2-[[2-(4-Amino-2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
CID 17878899
2-(4-amino-2-oxopyrimidin-1-yl)-N-[2-(cyclopropylamino)ethyl]-N-[(2R)-1-hydroxy-3-oxobutan-2-yl]acetamide
CID 166164312
4-amino-1-[2-hydroxy-2-[[(2R)-1-hydroxy-3-oxobutan-2-yl]-[2-(methylamino)ethyl]amino]ethyl]pyrimidin-2-one
CID 167121674
2-(4-amino-2-hydroxy-2H-pyrimidin-1-yl)-N-[(2R)-3-hydroxy-2-(methylamino)propyl]-N-(2-oxopropyl)acetamide
CID 167121775
2-(4-amino-2-oxopyrimidin-1-yl)-N-[(2R)-3-hydroxy-2-(methylamino)propyl]-N-(2-oxopropyl)acetamide
CID 167213494
2-(4-amino-2-oxopyrimidin-1-yl)-N-[(2R)-3-hydroxy-2-(propylamino)propyl]-N-(2-oxopropyl)acetamide
CID 167213779
(2R)-2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 171442584
2-[[(2R)-2-amino-3-hydroxypropyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
CID 171442604
2-[2-Aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 174229698

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(4-amino-2-oxopyrimidin-1-yl)propanoylamino]-3-hydroxypropanoic acid?
The IUPAC name of (2S)-2-[2-(4-amino-2-oxopyrimidin-1-yl)propanoylamino]-3-hydroxypropanoic acid (CID 91341012) is (2S)-2-[2-(4-amino-2-oxopyrimidin-1-yl)propanoylamino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2S)-2-[2-(4-amino-2-oxopyrimidin-1-yl)propanoylamino]-3-hydroxypropanoic acid?
The canonical SMILES for (2S)-2-[2-(4-amino-2-oxopyrimidin-1-yl)propanoylamino]-3-hydroxypropanoic acid is CC(C(=O)N[C@@H](CO)C(=O)O)n1ccc(N)nc1=O.
What is the InChIKey of (2S)-2-[2-(4-amino-2-oxopyrimidin-1-yl)propanoylamino]-3-hydroxypropanoic acid?
The InChIKey is OFPAKVNSIYILAS-GDVGLLTNSA-N. The full InChI is InChI=1S/C10H14N4O5/c1-5(8(16)12-6(4-15)9(17)18)14-3-2-7(11)13-10(14)19/h2-3,5-6,15H,4H2,1H3,(H,12,16)(H,17,18)(H2,11,13,19)/t5?,6-/m0/s1.
What are the key properties of (2S)-2-[2-(4-amino-2-oxopyrimidin-1-yl)propanoylamino]-3-hydroxypropanoic acid?
(2S)-2-[2-(4-amino-2-oxopyrimidin-1-yl)propanoylamino]-3-hydroxypropanoic acid has a molecular weight of 270.25 g/mol, XLogP of -2.05, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(4-amino-2-oxopyrimidin-1-yl)propanoylamino]-3-hydroxypropanoic acid is sourced from PubChem (CID 91341012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).