4-[3-[(2R)-2-amino-2-carboxyethyl]-2,6-dioxopyrimidin-1-yl]butanoic acid

C11H15N3O6 — CID 10957060

IUPAC4-[3-[(2R)-2-amino-2-carboxyethyl]-2,6-dioxopyrimidin-1-yl]butanoic acid
SMILESN[C@H](Cn1ccc(=O)n(CCCC(=O)O)c1=O)C(=O)O
InChIInChI=1S/C11H15N3O6/c12-7(10(18)19)6-13-5-3-8(15)14(11(13)20)4-1-2-9(16)17/h3,5,7H,1-2,4,6,12H2,(H,16,17)(H,18,19)/t7-/m1/s1
InChIKeyRPCJNIHRZLMOSD-SSDOTTSWSA-N
MW285.26 g/mol
LogP-1.71
Rot. Bonds7

About 4-[3-[(2R)-2-amino-2-carboxyethyl]-2,6-dioxopyrimidin-1-yl]butanoic acid

4-[3-[(2R)-2-amino-2-carboxyethyl]-2,6-dioxopyrimidin-1-yl]butanoic acid (PubChem CID 10957060) has the molecular formula C11H15N3O6 and a molecular weight of 285.26 g/mol. Its IUPAC name is 4-[3-[(2R)-2-amino-2-carboxyethyl]-2,6-dioxopyrimidin-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[3-[(2R)-2-amino-2-carboxyethyl]-2,6-dioxopyrimidin-1-yl]butanoic acid
PubChem CID10957060
Molecular FormulaC11H15N3O6
Molecular Weight285.26 g/mol
Exact Mass285.10
IUPAC Name4-[3-[(2R)-2-amino-2-carboxyethyl]-2,6-dioxopyrimidin-1-yl]butanoic acid
SMILESN[C@H](Cn1ccc(=O)n(CCCC(=O)O)c1=O)C(=O)O
InChIInChI=1S/C11H15N3O6/c12-7(10(18)19)6-13-5-3-8(15)14(11(13)20)4-1-2-9(16)17/h3,5,7H,1-2,4,6,12H2,(H,16,17)(H,18,19)/t7-/m1/s1
InChIKeyRPCJNIHRZLMOSD-SSDOTTSWSA-N
XLogP-1.71
TPSA144.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 5-1.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2R)-2-amino-2-carboxyethyl]-2,6-dioxopyrimidin-1-yl]butanoic acid?
The IUPAC name of 4-[3-[(2R)-2-amino-2-carboxyethyl]-2,6-dioxopyrimidin-1-yl]butanoic acid (CID 10957060) is 4-[3-[(2R)-2-amino-2-carboxyethyl]-2,6-dioxopyrimidin-1-yl]butanoic acid.
What is the SMILES notation for 4-[3-[(2R)-2-amino-2-carboxyethyl]-2,6-dioxopyrimidin-1-yl]butanoic acid?
The canonical SMILES for 4-[3-[(2R)-2-amino-2-carboxyethyl]-2,6-dioxopyrimidin-1-yl]butanoic acid is N[C@H](Cn1ccc(=O)n(CCCC(=O)O)c1=O)C(=O)O.
What is the InChIKey of 4-[3-[(2R)-2-amino-2-carboxyethyl]-2,6-dioxopyrimidin-1-yl]butanoic acid?
The InChIKey is RPCJNIHRZLMOSD-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H15N3O6/c12-7(10(18)19)6-13-5-3-8(15)14(11(13)20)4-1-2-9(16)17/h3,5,7H,1-2,4,6,12H2,(H,16,17)(H,18,19)/t7-/m1/s1.
What are the key properties of 4-[3-[(2R)-2-amino-2-carboxyethyl]-2,6-dioxopyrimidin-1-yl]butanoic acid?
4-[3-[(2R)-2-amino-2-carboxyethyl]-2,6-dioxopyrimidin-1-yl]butanoic acid has a molecular weight of 285.26 g/mol, XLogP of -1.71, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2R)-2-amino-2-carboxyethyl]-2,6-dioxopyrimidin-1-yl]butanoic acid is sourced from PubChem (CID 10957060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).