2-[[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]carbamoylamino]acetic acid

C10H18N4O5 — CID 154068702

IUPAC2-[[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]carbamoylamino]acetic acid
SMILESCCCNC(=O)CNC(=O)CNC(=O)NCC(=O)O
InChIInChI=1S/C10H18N4O5/c1-2-3-11-7(15)4-12-8(16)5-13-10(19)14-6-9(17)18/h2-6H2,1H3,(H,11,15)(H,12,16)(H,17,18)(H2,13,14,19)
InChIKeyBOWYWUXAQMSICB-UHFFFAOYSA-N
MW274.28 g/mol
LogP-1.99
Rot. Bonds8

About 2-[[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]carbamoylamino]acetic acid

2-[[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]carbamoylamino]acetic acid (PubChem CID 154068702) has the molecular formula C10H18N4O5 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-[[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]carbamoylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]carbamoylamino]acetic acid
PubChem CID154068702
Molecular FormulaC10H18N4O5
Molecular Weight274.28 g/mol
Exact Mass274.13
IUPAC Name2-[[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]carbamoylamino]acetic acid
SMILESCCCNC(=O)CNC(=O)CNC(=O)NCC(=O)O
InChIInChI=1S/C10H18N4O5/c1-2-3-11-7(15)4-12-8(16)5-13-10(19)14-6-9(17)18/h2-6H2,1H3,(H,11,15)(H,12,16)(H,17,18)(H2,13,14,19)
InChIKeyBOWYWUXAQMSICB-UHFFFAOYSA-N
XLogP-1.99
TPSA136.63 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 5-1.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]carbamoylamino]acetic acid?
The IUPAC name of 2-[[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]carbamoylamino]acetic acid (CID 154068702) is 2-[[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]carbamoylamino]acetic acid.
What is the SMILES notation for 2-[[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]carbamoylamino]acetic acid?
The canonical SMILES for 2-[[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]carbamoylamino]acetic acid is CCCNC(=O)CNC(=O)CNC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]carbamoylamino]acetic acid?
The InChIKey is BOWYWUXAQMSICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O5/c1-2-3-11-7(15)4-12-8(16)5-13-10(19)14-6-9(17)18/h2-6H2,1H3,(H,11,15)(H,12,16)(H,17,18)(H2,13,14,19).
What are the key properties of 2-[[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]carbamoylamino]acetic acid?
2-[[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]carbamoylamino]acetic acid has a molecular weight of 274.28 g/mol, XLogP of -1.99, 8 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]carbamoylamino]acetic acid is sourced from PubChem (CID 154068702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).