2-[[2-[(2-formamidoacetyl)-propylamino]acetyl]amino]acetic acid

C10H17N3O5 — CID 145155015

IUPAC2-[[2-[(2-formamidoacetyl)-propylamino]acetyl]amino]acetic acid
SMILESCCCN(CC(=O)NCC(=O)O)C(=O)CNC=O
InChIInChI=1S/C10H17N3O5/c1-2-3-13(9(16)4-11-7-14)6-8(15)12-5-10(17)18/h7H,2-6H2,1H3,(H,11,14)(H,12,15)(H,17,18)
InChIKeyKROXQVHWLUDMAF-UHFFFAOYSA-N
MW259.26 g/mol
LogP-1.83
Rot. Bonds9

About 2-[[2-[(2-formamidoacetyl)-propylamino]acetyl]amino]acetic acid

2-[[2-[(2-formamidoacetyl)-propylamino]acetyl]amino]acetic acid (PubChem CID 145155015) has the molecular formula C10H17N3O5 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-[[2-[(2-formamidoacetyl)-propylamino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(2-formamidoacetyl)-propylamino]acetyl]amino]acetic acid
PubChem CID145155015
Molecular FormulaC10H17N3O5
Molecular Weight259.26 g/mol
Exact Mass259.12
IUPAC Name2-[[2-[(2-formamidoacetyl)-propylamino]acetyl]amino]acetic acid
SMILESCCCN(CC(=O)NCC(=O)O)C(=O)CNC=O
InChIInChI=1S/C10H17N3O5/c1-2-3-13(9(16)4-11-7-14)6-8(15)12-5-10(17)18/h7H,2-6H2,1H3,(H,11,14)(H,12,15)(H,17,18)
InChIKeyKROXQVHWLUDMAF-UHFFFAOYSA-N
XLogP-1.83
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 5-1.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-formamidoacetyl)-propylamino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(2-formamidoacetyl)-propylamino]acetyl]amino]acetic acid (CID 145155015) is 2-[[2-[(2-formamidoacetyl)-propylamino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(2-formamidoacetyl)-propylamino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(2-formamidoacetyl)-propylamino]acetyl]amino]acetic acid is CCCN(CC(=O)NCC(=O)O)C(=O)CNC=O.
What is the InChIKey of 2-[[2-[(2-formamidoacetyl)-propylamino]acetyl]amino]acetic acid?
The InChIKey is KROXQVHWLUDMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O5/c1-2-3-13(9(16)4-11-7-14)6-8(15)12-5-10(17)18/h7H,2-6H2,1H3,(H,11,14)(H,12,15)(H,17,18).
What are the key properties of 2-[[2-[(2-formamidoacetyl)-propylamino]acetyl]amino]acetic acid?
2-[[2-[(2-formamidoacetyl)-propylamino]acetyl]amino]acetic acid has a molecular weight of 259.26 g/mol, XLogP of -1.83, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-formamidoacetyl)-propylamino]acetyl]amino]acetic acid is sourced from PubChem (CID 145155015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).