3-[(2-amino-2-cyclopropylpropanoyl)amino]-3-methylbutanoic acid

C11H20N2O3 — CID 64684106

IUPAC3-[(2-amino-2-cyclopropylpropanoyl)amino]-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)NC(=O)C(C)(N)C1CC1
InChIInChI=1S/C11H20N2O3/c1-10(2,6-8(14)15)13-9(16)11(3,12)7-4-5-7/h7H,4-6,12H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyUDYBLEPNZXQEFK-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.48
Rot. Bonds5

About 3-[(2-amino-2-cyclopropylpropanoyl)amino]-3-methylbutanoic acid

3-[(2-amino-2-cyclopropylpropanoyl)amino]-3-methylbutanoic acid (PubChem CID 64684106) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-[(2-amino-2-cyclopropylpropanoyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name3-[(2-amino-2-cyclopropylpropanoyl)amino]-3-methylbutanoic acid
PubChem CID64684106
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-[(2-amino-2-cyclopropylpropanoyl)amino]-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)NC(=O)C(C)(N)C1CC1
InChIInChI=1S/C11H20N2O3/c1-10(2,6-8(14)15)13-9(16)11(3,12)7-4-5-7/h7H,4-6,12H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyUDYBLEPNZXQEFK-UHFFFAOYSA-N
XLogP0.48
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-2-cyclopropylpropanoyl)amino]-3-methylbutanoic acid?
The IUPAC name of 3-[(2-amino-2-cyclopropylpropanoyl)amino]-3-methylbutanoic acid (CID 64684106) is 3-[(2-amino-2-cyclopropylpropanoyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for 3-[(2-amino-2-cyclopropylpropanoyl)amino]-3-methylbutanoic acid?
The canonical SMILES for 3-[(2-amino-2-cyclopropylpropanoyl)amino]-3-methylbutanoic acid is CC(C)(CC(=O)O)NC(=O)C(C)(N)C1CC1.
What is the InChIKey of 3-[(2-amino-2-cyclopropylpropanoyl)amino]-3-methylbutanoic acid?
The InChIKey is UDYBLEPNZXQEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-10(2,6-8(14)15)13-9(16)11(3,12)7-4-5-7/h7H,4-6,12H2,1-3H3,(H,13,16)(H,14,15).
What are the key properties of 3-[(2-amino-2-cyclopropylpropanoyl)amino]-3-methylbutanoic acid?
3-[(2-amino-2-cyclopropylpropanoyl)amino]-3-methylbutanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-2-cyclopropylpropanoyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 64684106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).