2-[[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetic acid

C9H17N3O4 — CID 43466072

IUPAC2-[[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetic acid
SMILESCC(C)CNC(=O)NC(=O)CNCC(=O)O
InChIInChI=1S/C9H17N3O4/c1-6(2)3-11-9(16)12-7(13)4-10-5-8(14)15/h6,10H,3-5H2,1-2H3,(H,14,15)(H2,11,12,13,16)
InChIKeyOANMJCUYMVMKLO-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.86
Rot. Bonds6

About 2-[[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetic acid

2-[[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetic acid (PubChem CID 43466072) has the molecular formula C9H17N3O4 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-[[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetic acid
PubChem CID43466072
Molecular FormulaC9H17N3O4
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name2-[[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetic acid
SMILESCC(C)CNC(=O)NC(=O)CNCC(=O)O
InChIInChI=1S/C9H17N3O4/c1-6(2)3-11-9(16)12-7(13)4-10-5-8(14)15/h6,10H,3-5H2,1-2H3,(H,14,15)(H2,11,12,13,16)
InChIKeyOANMJCUYMVMKLO-UHFFFAOYSA-N
XLogP-0.86
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetic acid (CID 43466072) is 2-[[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetic acid is CC(C)CNC(=O)NC(=O)CNCC(=O)O.
What is the InChIKey of 2-[[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetic acid?
The InChIKey is OANMJCUYMVMKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4/c1-6(2)3-11-9(16)12-7(13)4-10-5-8(14)15/h6,10H,3-5H2,1-2H3,(H,14,15)(H2,11,12,13,16).
What are the key properties of 2-[[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetic acid?
2-[[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetic acid has a molecular weight of 231.25 g/mol, XLogP of -0.86, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 43466072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).