3-[cyclopropyl-(4-propoxypyrimidin-2-yl)amino]propanoic acid

C13H19N3O3 — CID 112635990

IUPAC3-[cyclopropyl-(4-propoxypyrimidin-2-yl)amino]propanoic acid
SMILESCCCOc1ccnc(N(CCC(=O)O)C2CC2)n1
InChIInChI=1S/C13H19N3O3/c1-2-9-19-11-5-7-14-13(15-11)16(10-3-4-10)8-6-12(17)18/h5,7,10H,2-4,6,8-9H2,1H3,(H,17,18)
InChIKeyZVMQAARGSAYQGF-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.71
Rot. Bonds8

About 3-[cyclopropyl-(4-propoxypyrimidin-2-yl)amino]propanoic acid

3-[cyclopropyl-(4-propoxypyrimidin-2-yl)amino]propanoic acid (PubChem CID 112635990) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[cyclopropyl-(4-propoxypyrimidin-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-(4-propoxypyrimidin-2-yl)amino]propanoic acid
PubChem CID112635990
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-[cyclopropyl-(4-propoxypyrimidin-2-yl)amino]propanoic acid
SMILESCCCOc1ccnc(N(CCC(=O)O)C2CC2)n1
InChIInChI=1S/C13H19N3O3/c1-2-9-19-11-5-7-14-13(15-11)16(10-3-4-10)8-6-12(17)18/h5,7,10H,2-4,6,8-9H2,1H3,(H,17,18)
InChIKeyZVMQAARGSAYQGF-UHFFFAOYSA-N
XLogP1.71
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-cyclopropyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine
CID 112639469
4-propoxy-N-propyl-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 112638621
2-[2-(dimethylamino)ethyl-(4-propoxypyrimidin-2-yl)amino]acetic acid
CID 107424754
N-(2-bromoethyl)-N-cyclopropyl-4-ethoxypyrimidin-2-amine
CID 112639352
4-N-(4-ethoxypyrimidin-2-yl)-4-N-propylcyclohexane-1,4-diamine
CID 115975442
methyl 4-[methyl-(4-propoxypyrimidin-2-yl)amino]butanoate
CID 112638953
2-(4-propoxypyrimidin-2-yl)acetic acid
CID 104571285
3-[(4-ethoxypyrimidin-2-yl)-propan-2-ylamino]propanoic acid
CID 112635997
4-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 112636105
2-N-cyclopropyl-2-N-propylpyrimidine-2,4-diamine
CID 116796417
N-(2-bromoethyl)-N-methyl-4-propoxypyrimidin-2-amine
CID 112639376
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-cyclopropylamino]propanoic acid
CID 62857798

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(4-propoxypyrimidin-2-yl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-(4-propoxypyrimidin-2-yl)amino]propanoic acid (CID 112635990) is 3-[cyclopropyl-(4-propoxypyrimidin-2-yl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-(4-propoxypyrimidin-2-yl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-(4-propoxypyrimidin-2-yl)amino]propanoic acid is CCCOc1ccnc(N(CCC(=O)O)C2CC2)n1.
What is the InChIKey of 3-[cyclopropyl-(4-propoxypyrimidin-2-yl)amino]propanoic acid?
The InChIKey is ZVMQAARGSAYQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-2-9-19-11-5-7-14-13(15-11)16(10-3-4-10)8-6-12(17)18/h5,7,10H,2-4,6,8-9H2,1H3,(H,17,18).
What are the key properties of 3-[cyclopropyl-(4-propoxypyrimidin-2-yl)amino]propanoic acid?
3-[cyclopropyl-(4-propoxypyrimidin-2-yl)amino]propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(4-propoxypyrimidin-2-yl)amino]propanoic acid is sourced from PubChem (CID 112635990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).