2-acetamidopentanedioic acid

C7H11NO5 — CID 185

IUPAC2-acetamidopentanedioic acid
SMILESCC(=O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)
InChIKeyRFMMMVDNIPUKGG-UHFFFAOYSA-N
MW189.17 g/mol
LogP-0.56
Rot. Bonds5

About 2-acetamidopentanedioic acid

2-acetamidopentanedioic acid (PubChem CID 185) has the molecular formula C7H11NO5 and a molecular weight of 189.17 g/mol. Its IUPAC name is 2-acetamidopentanedioic acid.

Molecular Properties

Compound Name2-acetamidopentanedioic acid
PubChem CID185
Molecular FormulaC7H11NO5
Molecular Weight189.17 g/mol
Exact Mass189.06
IUPAC Name2-acetamidopentanedioic acid
SMILESCC(=O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)
InChIKeyRFMMMVDNIPUKGG-UHFFFAOYSA-N
XLogP-0.56
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetamidopentanedioic acid?
The IUPAC name of 2-acetamidopentanedioic acid (CID 185) is 2-acetamidopentanedioic acid.
What is the SMILES notation for 2-acetamidopentanedioic acid?
The canonical SMILES for 2-acetamidopentanedioic acid is CC(=O)NC(CCC(=O)O)C(=O)O.
What is the InChIKey of 2-acetamidopentanedioic acid?
The InChIKey is RFMMMVDNIPUKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13).
What are the key properties of 2-acetamidopentanedioic acid?
2-acetamidopentanedioic acid has a molecular weight of 189.17 g/mol, XLogP of -0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamidopentanedioic acid is sourced from PubChem (CID 185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).