2-[(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)-cyclopropylamino]acetic acid

C14H17ClN4O3 — CID 119195202

IUPAC2-[(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)-cyclopropylamino]acetic acid
SMILESO=C(O)CN(C(=O)c1nc(N2CCCC2)ncc1Cl)C1CC1
InChIInChI=1S/C14H17ClN4O3/c15-10-7-16-14(18-5-1-2-6-18)17-12(10)13(22)19(8-11(20)21)9-3-4-9/h7,9H,1-6,8H2,(H,20,21)
InChIKeyZHNKWQBBLCTCHL-UHFFFAOYSA-N
MW324.77 g/mol
LogP1.42
Rot. Bonds5

About 2-[(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)-cyclopropylamino]acetic acid

2-[(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)-cyclopropylamino]acetic acid (PubChem CID 119195202) has the molecular formula C14H17ClN4O3 and a molecular weight of 324.77 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)-cyclopropylamino]acetic acid
PubChem CID119195202
Molecular FormulaC14H17ClN4O3
Molecular Weight324.77 g/mol
Exact Mass324.10
IUPAC Name2-[(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)-cyclopropylamino]acetic acid
SMILESO=C(O)CN(C(=O)c1nc(N2CCCC2)ncc1Cl)C1CC1
InChIInChI=1S/C14H17ClN4O3/c15-10-7-16-14(18-5-1-2-6-18)17-12(10)13(22)19(8-11(20)21)9-3-4-9/h7,9H,1-6,8H2,(H,20,21)
InChIKeyZHNKWQBBLCTCHL-UHFFFAOYSA-N
XLogP1.42
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 51.42
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-pyrrolidin-1-ylpyrimidine-4-carbonyl)-cyclopropylamino]acetic acid?
The IUPAC name of 2-[(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)-cyclopropylamino]acetic acid (CID 119195202) is 2-[(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)-cyclopropylamino]acetic acid is O=C(O)CN(C(=O)c1nc(N2CCCC2)ncc1Cl)C1CC1.
What is the InChIKey of 2-[(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)-cyclopropylamino]acetic acid?
The InChIKey is ZHNKWQBBLCTCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O3/c15-10-7-16-14(18-5-1-2-6-18)17-12(10)13(22)19(8-11(20)21)9-3-4-9/h7,9H,1-6,8H2,(H,20,21).
What are the key properties of 2-[(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)-cyclopropylamino]acetic acid?
2-[(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)-cyclopropylamino]acetic acid has a molecular weight of 324.77 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)-cyclopropylamino]acetic acid is sourced from PubChem (CID 119195202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).