(1S)-1-aminopropane-1,2,3-tricarboxylic acid

C6H9NO6 — CID 20605454

IUPAC(1S)-1-aminopropane-1,2,3-tricarboxylic acid
SMILESN[C@H](C(=O)O)C(CC(=O)O)C(=O)O
InChIInChI=1S/C6H9NO6/c7-4(6(12)13)2(5(10)11)1-3(8)9/h2,4H,1,7H2,(H,8,9)(H,10,11)(H,12,13)/t2?,4-/m0/s1
InChIKeyBZJZJZZWFXEMRG-AOIFVJIMSA-N
MW191.14 g/mol
LogP-1.43
Rot. Bonds5

About (1S)-1-aminopropane-1,2,3-tricarboxylic acid

(1S)-1-aminopropane-1,2,3-tricarboxylic acid (PubChem CID 20605454) has the molecular formula C6H9NO6 and a molecular weight of 191.14 g/mol. Its IUPAC name is (1S)-1-aminopropane-1,2,3-tricarboxylic acid.

Molecular Properties

Compound Name(1S)-1-aminopropane-1,2,3-tricarboxylic acid
PubChem CID20605454
Molecular FormulaC6H9NO6
Molecular Weight191.14 g/mol
Exact Mass191.04
IUPAC Name(1S)-1-aminopropane-1,2,3-tricarboxylic acid
SMILESN[C@H](C(=O)O)C(CC(=O)O)C(=O)O
InChIInChI=1S/C6H9NO6/c7-4(6(12)13)2(5(10)11)1-3(8)9/h2,4H,1,7H2,(H,8,9)(H,10,11)(H,12,13)/t2?,4-/m0/s1
InChIKeyBZJZJZZWFXEMRG-AOIFVJIMSA-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

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Related Compounds

(2S)-2-amino-3-(hydroxymethyl)butanedioic acid
CID 45122523
butane-1,2,3,4-tetracarboxylic acid;molecular hydrogen
CID 173003473
4-aminobutane-1,2,3-tricarboxylic acid
CID 88712271
(2S)-2,3-diaminopentanedioic acid;dihydrochloride
CID 156620465
(2S)-2-amino-3-tetradecanoylpentanedioic acid
CID 166523783
(2R,3S)-2-amino-3-methylpentanedioic acid
CID 6604760
(3R)-2-amino-3-methylpentanedioic acid
CID 90857110
(3S)-2-amino-3-[(2S)-2-hydroxy-3-oxopropyl]butanedioic acid
CID 133053553
1-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 141140377
1-fluoropropane-1,2,3-tricarboxylic acid
CID 71324460
1-phosphanylpropane-1,2,3-tricarboxylic acid
CID 57174577
(2R,3S)-2-amino-3-cyanopentanedioic acid
CID 162885810

Frequently Asked Questions

What is the IUPAC name of (1S)-1-aminopropane-1,2,3-tricarboxylic acid?
The IUPAC name of (1S)-1-aminopropane-1,2,3-tricarboxylic acid (CID 20605454) is (1S)-1-aminopropane-1,2,3-tricarboxylic acid.
What is the SMILES notation for (1S)-1-aminopropane-1,2,3-tricarboxylic acid?
The canonical SMILES for (1S)-1-aminopropane-1,2,3-tricarboxylic acid is N[C@H](C(=O)O)C(CC(=O)O)C(=O)O.
What is the InChIKey of (1S)-1-aminopropane-1,2,3-tricarboxylic acid?
The InChIKey is BZJZJZZWFXEMRG-AOIFVJIMSA-N. The full InChI is InChI=1S/C6H9NO6/c7-4(6(12)13)2(5(10)11)1-3(8)9/h2,4H,1,7H2,(H,8,9)(H,10,11)(H,12,13)/t2?,4-/m0/s1.
What are the key properties of (1S)-1-aminopropane-1,2,3-tricarboxylic acid?
(1S)-1-aminopropane-1,2,3-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 (1S)-1-aminopropane-1,2,3-tricarboxylic acid is sourced from PubChem (CID 20605454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).