3-[[methyl(oxan-4-yl)carbamoyl]amino]propanoic acid

C10H18N2O4 — CID 61202788

IUPAC3-[[methyl(oxan-4-yl)carbamoyl]amino]propanoic acid
SMILESCN(C(=O)NCCC(=O)O)C1CCOCC1
InChIInChI=1S/C10H18N2O4/c1-12(8-3-6-16-7-4-8)10(15)11-5-2-9(13)14/h8H,2-7H2,1H3,(H,11,15)(H,13,14)
InChIKeyFTVPVCSHKUTLEN-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.28
Rot. Bonds4

About 3-[[methyl(oxan-4-yl)carbamoyl]amino]propanoic acid

3-[[methyl(oxan-4-yl)carbamoyl]amino]propanoic acid (PubChem CID 61202788) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 3-[[methyl(oxan-4-yl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[methyl(oxan-4-yl)carbamoyl]amino]propanoic acid
PubChem CID61202788
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name3-[[methyl(oxan-4-yl)carbamoyl]amino]propanoic acid
SMILESCN(C(=O)NCCC(=O)O)C1CCOCC1
InChIInChI=1S/C10H18N2O4/c1-12(8-3-6-16-7-4-8)10(15)11-5-2-9(13)14/h8H,2-7H2,1H3,(H,11,15)(H,13,14)
InChIKeyFTVPVCSHKUTLEN-UHFFFAOYSA-N
XLogP0.28
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[methyl(oxan-4-yl)carbamoyl]amino]propanoic 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-[[methyl(oxan-4-yl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[[methyl(oxan-4-yl)carbamoyl]amino]propanoic acid (CID 61202788) is 3-[[methyl(oxan-4-yl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[methyl(oxan-4-yl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[[methyl(oxan-4-yl)carbamoyl]amino]propanoic acid is CN(C(=O)NCCC(=O)O)C1CCOCC1.
What is the InChIKey of 3-[[methyl(oxan-4-yl)carbamoyl]amino]propanoic acid?
The InChIKey is FTVPVCSHKUTLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-12(8-3-6-16-7-4-8)10(15)11-5-2-9(13)14/h8H,2-7H2,1H3,(H,11,15)(H,13,14).
What are the key properties of 3-[[methyl(oxan-4-yl)carbamoyl]amino]propanoic acid?
3-[[methyl(oxan-4-yl)carbamoyl]amino]propanoic acid has a molecular weight of 230.26 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(oxan-4-yl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 61202788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).