2-[[1-[[4-(propylamino)pyrimidin-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid

C19H30N4O3 — CID 11595694

IUPAC2-[[1-[[4-(propylamino)pyrimidin-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid
SMILESCCCNc1ccnc(NC(=O)C2(CC(CCC)C(=O)O)CCCC2)n1
InChIInChI=1S/C19H30N4O3/c1-3-7-14(16(24)25)13-19(9-5-6-10-19)17(26)23-18-21-12-8-15(22-18)20-11-4-2/h8,12,14H,3-7,9-11,13H2,1-2H3,(H,24,25)(H2,20,21,22,23,26)
InChIKeyREUQZHBGAKLLHL-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.69
Rot. Bonds10

About 2-[[1-[[4-(propylamino)pyrimidin-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid

2-[[1-[[4-(propylamino)pyrimidin-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid (PubChem CID 11595694) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-[[1-[[4-(propylamino)pyrimidin-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[1-[[4-(propylamino)pyrimidin-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid
PubChem CID11595694
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name2-[[1-[[4-(propylamino)pyrimidin-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid
SMILESCCCNc1ccnc(NC(=O)C2(CC(CCC)C(=O)O)CCCC2)n1
InChIInChI=1S/C19H30N4O3/c1-3-7-14(16(24)25)13-19(9-5-6-10-19)17(26)23-18-21-12-8-15(22-18)20-11-4-2/h8,12,14H,3-7,9-11,13H2,1-2H3,(H,24,25)(H2,20,21,22,23,26)
InChIKeyREUQZHBGAKLLHL-UHFFFAOYSA-N
XLogP3.69
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[[4-(propylamino)pyrimidin-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid?
The IUPAC name of 2-[[1-[[4-(propylamino)pyrimidin-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid (CID 11595694) is 2-[[1-[[4-(propylamino)pyrimidin-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid.
What is the SMILES notation for 2-[[1-[[4-(propylamino)pyrimidin-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid?
The canonical SMILES for 2-[[1-[[4-(propylamino)pyrimidin-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid is CCCNc1ccnc(NC(=O)C2(CC(CCC)C(=O)O)CCCC2)n1.
What is the InChIKey of 2-[[1-[[4-(propylamino)pyrimidin-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid?
The InChIKey is REUQZHBGAKLLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-3-7-14(16(24)25)13-19(9-5-6-10-19)17(26)23-18-21-12-8-15(22-18)20-11-4-2/h8,12,14H,3-7,9-11,13H2,1-2H3,(H,24,25)(H2,20,21,22,23,26).
What are the key properties of 2-[[1-[[4-(propylamino)pyrimidin-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid?
2-[[1-[[4-(propylamino)pyrimidin-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid has a molecular weight of 362.47 g/mol, XLogP of 3.69, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[[4-(propylamino)pyrimidin-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid is sourced from PubChem (CID 11595694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).