amino (2R)-5-amino-2-formamidopentanoate

C6H13N3O3 — CID 174668707

IUPACamino (2R)-5-amino-2-formamidopentanoate
SMILESNCCC[C@@H](NC=O)C(=O)ON
InChIInChI=1S/C6H13N3O3/c7-3-1-2-5(9-4-10)6(11)12-8/h4-5H,1-3,7-8H2,(H,9,10)/t5-/m1/s1
InChIKeyJVLNSKHJNTVFNW-RXMQYKEDSA-N
MW175.19 g/mol
LogP-1.74
Rot. Bonds6

About amino (2R)-5-amino-2-formamidopentanoate

amino (2R)-5-amino-2-formamidopentanoate (PubChem CID 174668707) has the molecular formula C6H13N3O3 and a molecular weight of 175.19 g/mol. Its IUPAC name is amino (2R)-5-amino-2-formamidopentanoate.

Molecular Properties

Compound Nameamino (2R)-5-amino-2-formamidopentanoate
PubChem CID174668707
Molecular FormulaC6H13N3O3
Molecular Weight175.19 g/mol
Exact Mass175.10
IUPAC Nameamino (2R)-5-amino-2-formamidopentanoate
SMILESNCCC[C@@H](NC=O)C(=O)ON
InChIInChI=1S/C6H13N3O3/c7-3-1-2-5(9-4-10)6(11)12-8/h4-5H,1-3,7-8H2,(H,9,10)/t5-/m1/s1
InChIKeyJVLNSKHJNTVFNW-RXMQYKEDSA-N
XLogP-1.74
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 5-1.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of amino (2R)-5-amino-2-formamidopentanoate?
The IUPAC name of amino (2R)-5-amino-2-formamidopentanoate (CID 174668707) is amino (2R)-5-amino-2-formamidopentanoate.
What is the SMILES notation for amino (2R)-5-amino-2-formamidopentanoate?
The canonical SMILES for amino (2R)-5-amino-2-formamidopentanoate is NCCC[C@@H](NC=O)C(=O)ON.
What is the InChIKey of amino (2R)-5-amino-2-formamidopentanoate?
The InChIKey is JVLNSKHJNTVFNW-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H13N3O3/c7-3-1-2-5(9-4-10)6(11)12-8/h4-5H,1-3,7-8H2,(H,9,10)/t5-/m1/s1.
What are the key properties of amino (2R)-5-amino-2-formamidopentanoate?
amino (2R)-5-amino-2-formamidopentanoate has a molecular weight of 175.19 g/mol, XLogP of -1.74, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino (2R)-5-amino-2-formamidopentanoate is sourced from PubChem (CID 174668707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).