(3R)-3-aminopropane-1,1,3-tricarboxylic acid

C6H9NO6 — CID 6998949

IUPAC(3R)-3-aminopropane-1,1,3-tricarboxylic acid
SMILESN[C@H](CC(C(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C6H9NO6/c7-3(6(12)13)1-2(4(8)9)5(10)11/h2-3H,1,7H2,(H,8,9)(H,10,11)(H,12,13)/t3-/m1/s1
InChIKeyUHBYWPGGCSDKFX-GSVOUGTGSA-N
MW191.14 g/mol
LogP-1.43
Rot. Bonds5

About (3R)-3-aminopropane-1,1,3-tricarboxylic acid

(3R)-3-aminopropane-1,1,3-tricarboxylic acid (PubChem CID 6998949) has the molecular formula C6H9NO6 and a molecular weight of 191.14 g/mol. Its IUPAC name is (3R)-3-aminopropane-1,1,3-tricarboxylic acid.

Molecular Properties

Compound Name(3R)-3-aminopropane-1,1,3-tricarboxylic acid
PubChem CID6998949
Molecular FormulaC6H9NO6
Molecular Weight191.14 g/mol
Exact Mass191.04
IUPAC Name(3R)-3-aminopropane-1,1,3-tricarboxylic acid
SMILESN[C@H](CC(C(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C6H9NO6/c7-3(6(12)13)1-2(4(8)9)5(10)11/h2-3H,1,7H2,(H,8,9)(H,10,11)(H,12,13)/t3-/m1/s1
InChIKeyUHBYWPGGCSDKFX-GSVOUGTGSA-N
XLogP-1.43
TPSA137.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.14
LogP ≤ 5-1.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-aminopropane-1,1,3-tricarboxylic acid?
The IUPAC name of (3R)-3-aminopropane-1,1,3-tricarboxylic acid (CID 6998949) is (3R)-3-aminopropane-1,1,3-tricarboxylic acid.
What is the SMILES notation for (3R)-3-aminopropane-1,1,3-tricarboxylic acid?
The canonical SMILES for (3R)-3-aminopropane-1,1,3-tricarboxylic acid is N[C@H](CC(C(=O)O)C(=O)O)C(=O)O.
What is the InChIKey of (3R)-3-aminopropane-1,1,3-tricarboxylic acid?
The InChIKey is UHBYWPGGCSDKFX-GSVOUGTGSA-N. The full InChI is InChI=1S/C6H9NO6/c7-3(6(12)13)1-2(4(8)9)5(10)11/h2-3H,1,7H2,(H,8,9)(H,10,11)(H,12,13)/t3-/m1/s1.
What are the key properties of (3R)-3-aminopropane-1,1,3-tricarboxylic acid?
(3R)-3-aminopropane-1,1,3-tricarboxylic acid has a molecular weight of 191.14 g/mol, XLogP of -1.43, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-aminopropane-1,1,3-tricarboxylic acid is sourced from PubChem (CID 6998949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).