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

C9H17N3O4 — CID 43567590

IUPAC2-[methyl-[[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]acetic acid
SMILESCCCNC(=O)CNC(=O)N(C)CC(=O)O
InChIInChI=1S/C9H17N3O4/c1-3-4-10-7(13)5-11-9(16)12(2)6-8(14)15/h3-6H2,1-2H3,(H,10,13)(H,11,16)(H,14,15)
InChIKeyZSJCNQLROLINTA-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.76
Rot. Bonds6

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

2-[methyl-[[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]acetic acid (PubChem CID 43567590) has the molecular formula C9H17N3O4 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-[methyl-[[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]acetic acid
PubChem CID43567590
Molecular FormulaC9H17N3O4
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name2-[methyl-[[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]acetic acid
SMILESCCCNC(=O)CNC(=O)N(C)CC(=O)O
InChIInChI=1S/C9H17N3O4/c1-3-4-10-7(13)5-11-9(16)12(2)6-8(14)15/h3-6H2,1-2H3,(H,10,13)(H,11,16)(H,14,15)
InChIKeyZSJCNQLROLINTA-UHFFFAOYSA-N
XLogP-0.76
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]acetic acid (CID 43567590) is 2-[methyl-[[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]acetic acid is CCCNC(=O)CNC(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[methyl-[[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]acetic acid?
The InChIKey is ZSJCNQLROLINTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4/c1-3-4-10-7(13)5-11-9(16)12(2)6-8(14)15/h3-6H2,1-2H3,(H,10,13)(H,11,16)(H,14,15).
What are the key properties of 2-[methyl-[[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]acetic acid?
2-[methyl-[[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]acetic acid has a molecular weight of 231.25 g/mol, XLogP of -0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]acetic acid is sourced from PubChem (CID 43567590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).