(1S,3R)-1-aminopentane-1,3,5-tricarboxylic acid

C8H13NO6 — CID 24905705

IUPAC(1S,3R)-1-aminopentane-1,3,5-tricarboxylic acid
SMILESN[C@@H](C[C@@H](CCC(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C8H13NO6/c9-5(8(14)15)3-4(7(12)13)1-2-6(10)11/h4-5H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5+/m1/s1
InChIKeyYSWVADAJIFHTLV-UHNVWZDZSA-N
MW219.19 g/mol
LogP-0.65
Rot. Bonds7

About (1S,3R)-1-aminopentane-1,3,5-tricarboxylic acid

(1S,3R)-1-aminopentane-1,3,5-tricarboxylic acid (PubChem CID 24905705) has the molecular formula C8H13NO6 and a molecular weight of 219.19 g/mol. Its IUPAC name is (1S,3R)-1-aminopentane-1,3,5-tricarboxylic acid.

Molecular Properties

Compound Name(1S,3R)-1-aminopentane-1,3,5-tricarboxylic acid
PubChem CID24905705
Molecular FormulaC8H13NO6
Molecular Weight219.19 g/mol
Exact Mass219.07
IUPAC Name(1S,3R)-1-aminopentane-1,3,5-tricarboxylic acid
SMILESN[C@@H](C[C@@H](CCC(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C8H13NO6/c9-5(8(14)15)3-4(7(12)13)1-2-6(10)11/h4-5H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5+/m1/s1
InChIKeyYSWVADAJIFHTLV-UHNVWZDZSA-N
XLogP-0.65
TPSA137.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 5-0.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,3R)-1-aminopentane-1,3,5-tricarboxylic acid?
The IUPAC name of (1S,3R)-1-aminopentane-1,3,5-tricarboxylic acid (CID 24905705) is (1S,3R)-1-aminopentane-1,3,5-tricarboxylic acid.
What is the SMILES notation for (1S,3R)-1-aminopentane-1,3,5-tricarboxylic acid?
The canonical SMILES for (1S,3R)-1-aminopentane-1,3,5-tricarboxylic acid is N[C@@H](C[C@@H](CCC(=O)O)C(=O)O)C(=O)O.
What is the InChIKey of (1S,3R)-1-aminopentane-1,3,5-tricarboxylic acid?
The InChIKey is YSWVADAJIFHTLV-UHNVWZDZSA-N. The full InChI is InChI=1S/C8H13NO6/c9-5(8(14)15)3-4(7(12)13)1-2-6(10)11/h4-5H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5+/m1/s1.
What are the key properties of (1S,3R)-1-aminopentane-1,3,5-tricarboxylic acid?
(1S,3R)-1-aminopentane-1,3,5-tricarboxylic acid has a molecular weight of 219.19 g/mol, XLogP of -0.65, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R)-1-aminopentane-1,3,5-tricarboxylic acid is sourced from PubChem (CID 24905705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).