2-amino-5-[4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]pentanoic acid

C16H24F3N5O2 — CID 150982865

IUPAC2-amino-5-[4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]pentanoic acid
SMILESNC(CCCN1CCC(CNc2nccc(C(F)(F)F)n2)CC1)C(=O)O
InChIInChI=1S/C16H24F3N5O2/c17-16(18,19)13-3-6-21-15(23-13)22-10-11-4-8-24(9-5-11)7-1-2-12(20)14(25)26/h3,6,11-12H,1-2,4-5,7-10,20H2,(H,25,26)(H,21,22,23)
InChIKeyLQLPIBCOOVDHCS-UHFFFAOYSA-N
MW375.40 g/mol
LogP1.81
Rot. Bonds8

About 2-amino-5-[4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]pentanoic acid

2-amino-5-[4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]pentanoic acid (PubChem CID 150982865) has the molecular formula C16H24F3N5O2 and a molecular weight of 375.40 g/mol. Its IUPAC name is 2-amino-5-[4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]pentanoic acid.

Molecular Properties

Compound Name2-amino-5-[4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]pentanoic acid
PubChem CID150982865
Molecular FormulaC16H24F3N5O2
Molecular Weight375.40 g/mol
Exact Mass375.19
IUPAC Name2-amino-5-[4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]pentanoic acid
SMILESNC(CCCN1CCC(CNc2nccc(C(F)(F)F)n2)CC1)C(=O)O
InChIInChI=1S/C16H24F3N5O2/c17-16(18,19)13-3-6-21-15(23-13)22-10-11-4-8-24(9-5-11)7-1-2-12(20)14(25)26/h3,6,11-12H,1-2,4-5,7-10,20H2,(H,25,26)(H,21,22,23)
InChIKeyLQLPIBCOOVDHCS-UHFFFAOYSA-N
XLogP1.81
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-amino-5-[4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]pentanoic acid with MolForge

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Related Compounds

1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic Acid
CID 2777798
1-[4-[[4-(Trifluoromethyl)pyrimidin-2-yl]amino]butyl]piperidine-4-carboxamide
CID 40155098
4,4-Dimethyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid
CID 22063154
2-Amino-6-borono-2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]hexanoic acid
CID 54588177
2-[4-Hydroxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]butanoic acid
CID 66661115
[1-[4-(Trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methylcarbamic acid
CID 67136537
(2-Amino-2-oxoethyl)-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]carbamic acid
CID 67137685
2-[1-[4-(Trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethylcarbamic acid
CID 67364339
2-[4-Hydroxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethylcarbamic acid
CID 67364966
2-[4-Hydroxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]acetic acid
CID 67365463
3-[1-[4-(Trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]propylcarbamic acid
CID 67377899
4-[4-(Trifluoromethyl)pyrimidin-2-yl]butanoic acid
CID 68841637

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]pentanoic acid?
The IUPAC name of 2-amino-5-[4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]pentanoic acid (CID 150982865) is 2-amino-5-[4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]pentanoic acid.
What is the SMILES notation for 2-amino-5-[4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]pentanoic acid?
The canonical SMILES for 2-amino-5-[4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]pentanoic acid is NC(CCCN1CCC(CNc2nccc(C(F)(F)F)n2)CC1)C(=O)O.
What is the InChIKey of 2-amino-5-[4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]pentanoic acid?
The InChIKey is LQLPIBCOOVDHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N5O2/c17-16(18,19)13-3-6-21-15(23-13)22-10-11-4-8-24(9-5-11)7-1-2-12(20)14(25)26/h3,6,11-12H,1-2,4-5,7-10,20H2,(H,25,26)(H,21,22,23).
What are the key properties of 2-amino-5-[4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]pentanoic acid?
2-amino-5-[4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]pentanoic acid has a molecular weight of 375.40 g/mol, XLogP of 1.81, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]pentanoic acid is sourced from PubChem (CID 150982865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).