2-(2-methylbutan-2-ylcarbamoylamino)acetic acid

C8H16N2O3 — CID 43445740

IUPAC2-(2-methylbutan-2-ylcarbamoylamino)acetic acid
SMILESCCC(C)(C)NC(=O)NCC(=O)O
InChIInChI=1S/C8H16N2O3/c1-4-8(2,3)10-7(13)9-5-6(11)12/h4-5H2,1-3H3,(H,11,12)(H2,9,10,13)
InChIKeyVUYXOYKWBQWMAN-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.56
Rot. Bonds4

About 2-(2-methylbutan-2-ylcarbamoylamino)acetic acid

2-(2-methylbutan-2-ylcarbamoylamino)acetic acid (PubChem CID 43445740) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-(2-methylbutan-2-ylcarbamoylamino)acetic acid.

Molecular Properties

Compound Name2-(2-methylbutan-2-ylcarbamoylamino)acetic acid
PubChem CID43445740
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name2-(2-methylbutan-2-ylcarbamoylamino)acetic acid
SMILESCCC(C)(C)NC(=O)NCC(=O)O
InChIInChI=1S/C8H16N2O3/c1-4-8(2,3)10-7(13)9-5-6(11)12/h4-5H2,1-3H3,(H,11,12)(H2,9,10,13)
InChIKeyVUYXOYKWBQWMAN-UHFFFAOYSA-N
XLogP0.56
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-(2-methylbutan-2-ylcarbamoylamino)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutan-2-ylcarbamoylamino)acetic acid?
The IUPAC name of 2-(2-methylbutan-2-ylcarbamoylamino)acetic acid (CID 43445740) is 2-(2-methylbutan-2-ylcarbamoylamino)acetic acid.
What is the SMILES notation for 2-(2-methylbutan-2-ylcarbamoylamino)acetic acid?
The canonical SMILES for 2-(2-methylbutan-2-ylcarbamoylamino)acetic acid is CCC(C)(C)NC(=O)NCC(=O)O.
What is the InChIKey of 2-(2-methylbutan-2-ylcarbamoylamino)acetic acid?
The InChIKey is VUYXOYKWBQWMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-4-8(2,3)10-7(13)9-5-6(11)12/h4-5H2,1-3H3,(H,11,12)(H2,9,10,13).
What are the key properties of 2-(2-methylbutan-2-ylcarbamoylamino)acetic acid?
2-(2-methylbutan-2-ylcarbamoylamino)acetic acid has a molecular weight of 188.23 g/mol, XLogP of 0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutan-2-ylcarbamoylamino)acetic acid is sourced from PubChem (CID 43445740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).