2-[cyclopropylmethyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid

C12H15N3O5 — CID 43655464

IUPAC2-[cyclopropylmethyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H15N3O5/c16-9-3-8(13-12(20)14-9)4-10(17)15(6-11(18)19)5-7-1-2-7/h3,7H,1-2,4-6H2,(H,18,19)(H2,13,14,16,20)
InChIKeyHAQKCKMBXIVGBO-UHFFFAOYSA-N
MW281.27 g/mol
LogP-1.07
Rot. Bonds6

About 2-[cyclopropylmethyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid

2-[cyclopropylmethyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid (PubChem CID 43655464) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid
PubChem CID43655464
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name2-[cyclopropylmethyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H15N3O5/c16-9-3-8(13-12(20)14-9)4-10(17)15(6-11(18)19)5-7-1-2-7/h3,7H,1-2,4-6H2,(H,18,19)(H2,13,14,16,20)
InChIKeyHAQKCKMBXIVGBO-UHFFFAOYSA-N
XLogP-1.07
TPSA123.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid (CID 43655464) is 2-[cyclopropylmethyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid is O=C(O)CN(CC1CC1)C(=O)Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2-[cyclopropylmethyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid?
The InChIKey is HAQKCKMBXIVGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c16-9-3-8(13-12(20)14-9)4-10(17)15(6-11(18)19)5-7-1-2-7/h3,7H,1-2,4-6H2,(H,18,19)(H2,13,14,16,20).
What are the key properties of 2-[cyclopropylmethyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid?
2-[cyclopropylmethyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid has a molecular weight of 281.27 g/mol, XLogP of -1.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 43655464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).