(2S)-6-amino-2-formamidohexanoic acid

C7H14N2O3 — CID 12679628

IUPAC(2S)-6-amino-2-formamidohexanoic acid
SMILESNCCCC[C@H](NC=O)C(=O)O
InChIInChI=1S/C7H14N2O3/c8-4-2-1-3-6(7(11)12)9-5-10/h5-6H,1-4,8H2,(H,9,10)(H,11,12)/t6-/m0/s1
InChIKeyLIEIRDDOGFQXEH-LURJTMIESA-N
MW174.20 g/mol
LogP-0.69
Rot. Bonds7

About (2S)-6-amino-2-formamidohexanoic acid

(2S)-6-amino-2-formamidohexanoic acid (PubChem CID 12679628) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is (2S)-6-amino-2-formamidohexanoic acid.

Molecular Properties

Compound Name(2S)-6-amino-2-formamidohexanoic acid
PubChem CID12679628
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name(2S)-6-amino-2-formamidohexanoic acid
SMILESNCCCC[C@H](NC=O)C(=O)O
InChIInChI=1S/C7H14N2O3/c8-4-2-1-3-6(7(11)12)9-5-10/h5-6H,1-4,8H2,(H,9,10)(H,11,12)/t6-/m0/s1
InChIKeyLIEIRDDOGFQXEH-LURJTMIESA-N
XLogP-0.69
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-formamidohexanoic acid?
The IUPAC name of (2S)-6-amino-2-formamidohexanoic acid (CID 12679628) is (2S)-6-amino-2-formamidohexanoic acid.
What is the SMILES notation for (2S)-6-amino-2-formamidohexanoic acid?
The canonical SMILES for (2S)-6-amino-2-formamidohexanoic acid is NCCCC[C@H](NC=O)C(=O)O.
What is the InChIKey of (2S)-6-amino-2-formamidohexanoic acid?
The InChIKey is LIEIRDDOGFQXEH-LURJTMIESA-N. The full InChI is InChI=1S/C7H14N2O3/c8-4-2-1-3-6(7(11)12)9-5-10/h5-6H,1-4,8H2,(H,9,10)(H,11,12)/t6-/m0/s1.
What are the key properties of (2S)-6-amino-2-formamidohexanoic acid?
(2S)-6-amino-2-formamidohexanoic acid has a molecular weight of 174.20 g/mol, XLogP of -0.69, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-formamidohexanoic acid is sourced from PubChem (CID 12679628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).