3-hydroxy-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]butanoic acid

C12H22N2O5 — CID 61436180

IUPAC3-hydroxy-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]butanoic acid
SMILESCC(O)C(NC(=O)N(C)CC1CCCCO1)C(=O)O
InChIInChI=1S/C12H22N2O5/c1-8(15)10(11(16)17)13-12(18)14(2)7-9-5-3-4-6-19-9/h8-10,15H,3-7H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyDSLQYJUZYDGKQW-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.03
Rot. Bonds5

About 3-hydroxy-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]butanoic acid

3-hydroxy-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]butanoic acid (PubChem CID 61436180) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-hydroxy-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]butanoic acid
PubChem CID61436180
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name3-hydroxy-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]butanoic acid
SMILESCC(O)C(NC(=O)N(C)CC1CCCCO1)C(=O)O
InChIInChI=1S/C12H22N2O5/c1-8(15)10(11(16)17)13-12(18)14(2)7-9-5-3-4-6-19-9/h8-10,15H,3-7H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyDSLQYJUZYDGKQW-UHFFFAOYSA-N
XLogP0.03
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-hydroxy-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]butanoic 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 3-hydroxy-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]butanoic acid?
The IUPAC name of 3-hydroxy-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]butanoic acid (CID 61436180) is 3-hydroxy-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for 3-hydroxy-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]butanoic acid?
The canonical SMILES for 3-hydroxy-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]butanoic acid is CC(O)C(NC(=O)N(C)CC1CCCCO1)C(=O)O.
What is the InChIKey of 3-hydroxy-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]butanoic acid?
The InChIKey is DSLQYJUZYDGKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-8(15)10(11(16)17)13-12(18)14(2)7-9-5-3-4-6-19-9/h8-10,15H,3-7H2,1-2H3,(H,13,18)(H,16,17).
What are the key properties of 3-hydroxy-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]butanoic acid?
3-hydroxy-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]butanoic acid has a molecular weight of 274.32 g/mol, XLogP of 0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 61436180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).