5-amino-2-(3-carboxypropanoylamino)pentanoic acid

C9H16N2O5 — CID 920

IUPAC5-amino-2-(3-carboxypropanoylamino)pentanoic acid
SMILESNCCCC(NC(=O)CCC(=O)O)C(=O)O
InChIInChI=1S/C9H16N2O5/c10-5-1-2-6(9(15)16)11-7(12)3-4-8(13)14/h6H,1-5,10H2,(H,11,12)(H,13,14)(H,15,16)
InChIKeyVWXQFHJBQHTHMK-UHFFFAOYSA-N
MW232.24 g/mol
LogP-0.84
Rot. Bonds8

About 5-amino-2-(3-carboxypropanoylamino)pentanoic acid

5-amino-2-(3-carboxypropanoylamino)pentanoic acid (PubChem CID 920) has the molecular formula C9H16N2O5 and a molecular weight of 232.24 g/mol. Its IUPAC name is 5-amino-2-(3-carboxypropanoylamino)pentanoic acid.

Molecular Properties

Compound Name5-amino-2-(3-carboxypropanoylamino)pentanoic acid
PubChem CID920
Molecular FormulaC9H16N2O5
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name5-amino-2-(3-carboxypropanoylamino)pentanoic acid
SMILESNCCCC(NC(=O)CCC(=O)O)C(=O)O
InChIInChI=1S/C9H16N2O5/c10-5-1-2-6(9(15)16)11-7(12)3-4-8(13)14/h6H,1-5,10H2,(H,11,12)(H,13,14)(H,15,16)
InChIKeyVWXQFHJBQHTHMK-UHFFFAOYSA-N
XLogP-0.84
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-0.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-carboxypropanoylamino)pentanoic acid?
The IUPAC name of 5-amino-2-(3-carboxypropanoylamino)pentanoic acid (CID 920) is 5-amino-2-(3-carboxypropanoylamino)pentanoic acid.
What is the SMILES notation for 5-amino-2-(3-carboxypropanoylamino)pentanoic acid?
The canonical SMILES for 5-amino-2-(3-carboxypropanoylamino)pentanoic acid is NCCCC(NC(=O)CCC(=O)O)C(=O)O.
What is the InChIKey of 5-amino-2-(3-carboxypropanoylamino)pentanoic acid?
The InChIKey is VWXQFHJBQHTHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O5/c10-5-1-2-6(9(15)16)11-7(12)3-4-8(13)14/h6H,1-5,10H2,(H,11,12)(H,13,14)(H,15,16).
What are the key properties of 5-amino-2-(3-carboxypropanoylamino)pentanoic acid?
5-amino-2-(3-carboxypropanoylamino)pentanoic acid has a molecular weight of 232.24 g/mol, XLogP of -0.84, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-carboxypropanoylamino)pentanoic acid is sourced from PubChem (CID 920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).