2-[(5-chloro-2-methoxypyrimidin-4-yl)-(cyclopropylmethyl)amino]acetic acid

C11H14ClN3O3 — CID 80758602

IUPAC2-[(5-chloro-2-methoxypyrimidin-4-yl)-(cyclopropylmethyl)amino]acetic acid
SMILESCOc1ncc(Cl)c(N(CC(=O)O)CC2CC2)n1
InChIInChI=1S/C11H14ClN3O3/c1-18-11-13-4-8(12)10(14-11)15(6-9(16)17)5-7-2-3-7/h4,7H,2-3,5-6H2,1H3,(H,16,17)
InChIKeyQUCQWNZYLIOULU-UHFFFAOYSA-N
MW271.70 g/mol
LogP1.44
Rot. Bonds6

About 2-[(5-chloro-2-methoxypyrimidin-4-yl)-(cyclopropylmethyl)amino]acetic acid

2-[(5-chloro-2-methoxypyrimidin-4-yl)-(cyclopropylmethyl)amino]acetic acid (PubChem CID 80758602) has the molecular formula C11H14ClN3O3 and a molecular weight of 271.70 g/mol. Its IUPAC name is 2-[(5-chloro-2-methoxypyrimidin-4-yl)-(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-chloro-2-methoxypyrimidin-4-yl)-(cyclopropylmethyl)amino]acetic acid
PubChem CID80758602
Molecular FormulaC11H14ClN3O3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC Name2-[(5-chloro-2-methoxypyrimidin-4-yl)-(cyclopropylmethyl)amino]acetic acid
SMILESCOc1ncc(Cl)c(N(CC(=O)O)CC2CC2)n1
InChIInChI=1S/C11H14ClN3O3/c1-18-11-13-4-8(12)10(14-11)15(6-9(16)17)5-7-2-3-7/h4,7H,2-3,5-6H2,1H3,(H,16,17)
InChIKeyQUCQWNZYLIOULU-UHFFFAOYSA-N
XLogP1.44
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methoxypyrimidin-4-yl)-(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[(5-chloro-2-methoxypyrimidin-4-yl)-(cyclopropylmethyl)amino]acetic acid (CID 80758602) is 2-[(5-chloro-2-methoxypyrimidin-4-yl)-(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-chloro-2-methoxypyrimidin-4-yl)-(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[(5-chloro-2-methoxypyrimidin-4-yl)-(cyclopropylmethyl)amino]acetic acid is COc1ncc(Cl)c(N(CC(=O)O)CC2CC2)n1.
What is the InChIKey of 2-[(5-chloro-2-methoxypyrimidin-4-yl)-(cyclopropylmethyl)amino]acetic acid?
The InChIKey is QUCQWNZYLIOULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3/c1-18-11-13-4-8(12)10(14-11)15(6-9(16)17)5-7-2-3-7/h4,7H,2-3,5-6H2,1H3,(H,16,17).
What are the key properties of 2-[(5-chloro-2-methoxypyrimidin-4-yl)-(cyclopropylmethyl)amino]acetic acid?
2-[(5-chloro-2-methoxypyrimidin-4-yl)-(cyclopropylmethyl)amino]acetic acid has a molecular weight of 271.70 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methoxypyrimidin-4-yl)-(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 80758602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).