(2S)-2-formamidopentanedioate

C6H7NO5-2 — CID 5459967

IUPAC(2S)-2-formamidopentanedioate
SMILESO=CN[C@@H](CCC(=O)[O-])C(=O)[O-]
InChIInChI=1S/C6H9NO5/c8-3-7-4(6(11)12)1-2-5(9)10/h3-4H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-2/t4-/m0/s1
InChIKeyADZLWSMFHHHOBV-BYPYZUCNSA-L
MW173.12 g/mol
LogP-3.62
Rot. Bonds6

About (2S)-2-formamidopentanedioate

(2S)-2-formamidopentanedioate (PubChem CID 5459967) has the molecular formula C6H7NO5-2 and a molecular weight of 173.12 g/mol. Its IUPAC name is (2S)-2-formamidopentanedioate.

Molecular Properties

Compound Name(2S)-2-formamidopentanedioate
PubChem CID5459967
Molecular FormulaC6H7NO5-2
Molecular Weight173.12 g/mol
Exact Mass173.03
IUPAC Name(2S)-2-formamidopentanedioate
SMILESO=CN[C@@H](CCC(=O)[O-])C(=O)[O-]
InChIInChI=1S/C6H9NO5/c8-3-7-4(6(11)12)1-2-5(9)10/h3-4H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-2/t4-/m0/s1
InChIKeyADZLWSMFHHHOBV-BYPYZUCNSA-L
XLogP-3.62
TPSA109.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.12
LogP ≤ 5-3.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-formamidopentanedioate?
The IUPAC name of (2S)-2-formamidopentanedioate (CID 5459967) is (2S)-2-formamidopentanedioate.
What is the SMILES notation for (2S)-2-formamidopentanedioate?
The canonical SMILES for (2S)-2-formamidopentanedioate is O=CN[C@@H](CCC(=O)[O-])C(=O)[O-].
What is the InChIKey of (2S)-2-formamidopentanedioate?
The InChIKey is ADZLWSMFHHHOBV-BYPYZUCNSA-L. The full InChI is InChI=1S/C6H9NO5/c8-3-7-4(6(11)12)1-2-5(9)10/h3-4H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-2/t4-/m0/s1.
What are the key properties of (2S)-2-formamidopentanedioate?
(2S)-2-formamidopentanedioate has a molecular weight of 173.12 g/mol, XLogP of -3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-formamidopentanedioate is sourced from PubChem (CID 5459967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).