2-(1-carboxypropylamino)propanedioic acid

C7H11NO6 — CID 23422369

IUPAC2-(1-carboxypropylamino)propanedioic acid
SMILESCCC(NC(C(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C7H11NO6/c1-2-3(5(9)10)8-4(6(11)12)7(13)14/h3-4,8H,2H2,1H3,(H,9,10)(H,11,12)(H,13,14)
InChIKeyDLRGSVZOFAYSFH-UHFFFAOYSA-N
MW205.17 g/mol
LogP-1.02
Rot. Bonds6

About 2-(1-carboxypropylamino)propanedioic acid

2-(1-carboxypropylamino)propanedioic acid (PubChem CID 23422369) has the molecular formula C7H11NO6 and a molecular weight of 205.17 g/mol. Its IUPAC name is 2-(1-carboxypropylamino)propanedioic acid.

Molecular Properties

Compound Name2-(1-carboxypropylamino)propanedioic acid
PubChem CID23422369
Molecular FormulaC7H11NO6
Molecular Weight205.17 g/mol
Exact Mass205.06
IUPAC Name2-(1-carboxypropylamino)propanedioic acid
SMILESCCC(NC(C(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C7H11NO6/c1-2-3(5(9)10)8-4(6(11)12)7(13)14/h3-4,8H,2H2,1H3,(H,9,10)(H,11,12)(H,13,14)
InChIKeyDLRGSVZOFAYSFH-UHFFFAOYSA-N
XLogP-1.02
TPSA123.93 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 5-1.02
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 2-(1-carboxypropylamino)propanedioic acid?
The IUPAC name of 2-(1-carboxypropylamino)propanedioic acid (CID 23422369) is 2-(1-carboxypropylamino)propanedioic acid.
What is the SMILES notation for 2-(1-carboxypropylamino)propanedioic acid?
The canonical SMILES for 2-(1-carboxypropylamino)propanedioic acid is CCC(NC(C(=O)O)C(=O)O)C(=O)O.
What is the InChIKey of 2-(1-carboxypropylamino)propanedioic acid?
The InChIKey is DLRGSVZOFAYSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO6/c1-2-3(5(9)10)8-4(6(11)12)7(13)14/h3-4,8H,2H2,1H3,(H,9,10)(H,11,12)(H,13,14).
What are the key properties of 2-(1-carboxypropylamino)propanedioic acid?
2-(1-carboxypropylamino)propanedioic acid has a molecular weight of 205.17 g/mol, XLogP of -1.02, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-carboxypropylamino)propanedioic acid is sourced from PubChem (CID 23422369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).