2-[cyclopropylmethyl-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]amino]acetic acid

C10H13N3O6S — CID 43656306

IUPAC2-[cyclopropylmethyl-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)S(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H13N3O6S/c14-8(15)5-13(4-6-1-2-6)20(18,19)7-3-11-10(17)12-9(7)16/h3,6H,1-2,4-5H2,(H,14,15)(H2,11,12,16,17)
InChIKeyQVQQIEKQHGFZFF-UHFFFAOYSA-N
MW303.30 g/mol
LogP-1.45
Rot. Bonds6

About 2-[cyclopropylmethyl-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]amino]acetic acid

2-[cyclopropylmethyl-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]amino]acetic acid (PubChem CID 43656306) has the molecular formula C10H13N3O6S and a molecular weight of 303.30 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]amino]acetic acid
PubChem CID43656306
Molecular FormulaC10H13N3O6S
Molecular Weight303.30 g/mol
Exact Mass303.05
IUPAC Name2-[cyclopropylmethyl-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)S(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H13N3O6S/c14-8(15)5-13(4-6-1-2-6)20(18,19)7-3-11-10(17)12-9(7)16/h3,6H,1-2,4-5H2,(H,14,15)(H2,11,12,16,17)
InChIKeyQVQQIEKQHGFZFF-UHFFFAOYSA-N
XLogP-1.45
TPSA140.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 5-1.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]amino]acetic acid (CID 43656306) is 2-[cyclopropylmethyl-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]amino]acetic acid is O=C(O)CN(CC1CC1)S(=O)(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 2-[cyclopropylmethyl-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]amino]acetic acid?
The InChIKey is QVQQIEKQHGFZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O6S/c14-8(15)5-13(4-6-1-2-6)20(18,19)7-3-11-10(17)12-9(7)16/h3,6H,1-2,4-5H2,(H,14,15)(H2,11,12,16,17).
What are the key properties of 2-[cyclopropylmethyl-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]amino]acetic acid?
2-[cyclopropylmethyl-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]amino]acetic acid has a molecular weight of 303.30 g/mol, XLogP of -1.45, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]amino]acetic acid is sourced from PubChem (CID 43656306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).