methyl 3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate

C10H13N3O5 — CID 43623505

IUPACmethyl 3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate
SMILESCOC(=O)C(CO)NC(=O)Cn1cccnc1=O
InChIInChI=1S/C10H13N3O5/c1-18-9(16)7(6-14)12-8(15)5-13-4-2-3-11-10(13)17/h2-4,7,14H,5-6H2,1H3,(H,12,15)
InChIKeyYPHTVJLFKXHOKV-UHFFFAOYSA-N
MW255.23 g/mol
LogP-2.11
Rot. Bonds5

About methyl 3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate

methyl 3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate (PubChem CID 43623505) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is methyl 3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate
PubChem CID43623505
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Namemethyl 3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate
SMILESCOC(=O)C(CO)NC(=O)Cn1cccnc1=O
InChIInChI=1S/C10H13N3O5/c1-18-9(16)7(6-14)12-8(15)5-13-4-2-3-11-10(13)17/h2-4,7,14H,5-6H2,1H3,(H,12,15)
InChIKeyYPHTVJLFKXHOKV-UHFFFAOYSA-N
XLogP-2.11
TPSA110.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-2.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoate
CID 113252770
N-(1-hydroxypropan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 43428142
2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 43355310
(2S)-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanedioic acid
CID 61151882
3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43353680
2-methoxy-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 106107921
ethyl 3-oxo-4-(2-oxopyrimidin-1-yl)butanoate
CID 63898720
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 33142762
N-(2-ethylbutyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 113232058
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 80717220
methyl (2S)-3-hydroxy-2-[(4-pyrazol-1-ylbenzoyl)amino]propanoate
CID 9277876
methyl 2-[(1-ethylpyrrole-2-carbonyl)amino]-3-hydroxypropanoate
CID 43638993

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate?
The IUPAC name of methyl 3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate (CID 43623505) is methyl 3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate.
What is the SMILES notation for methyl 3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate?
The canonical SMILES for methyl 3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate is COC(=O)C(CO)NC(=O)Cn1cccnc1=O.
What is the InChIKey of methyl 3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate?
The InChIKey is YPHTVJLFKXHOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c1-18-9(16)7(6-14)12-8(15)5-13-4-2-3-11-10(13)17/h2-4,7,14H,5-6H2,1H3,(H,12,15).
What are the key properties of methyl 3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate?
methyl 3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate has a molecular weight of 255.23 g/mol, XLogP of -2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate is sourced from PubChem (CID 43623505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).