2-[[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid

C13H24N2O4 — CID 65223097

IUPAC2-[[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid
SMILESCCC(CNC(=O)N(CC)CC1CCCO1)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-3-10(12(16)17)8-14-13(18)15(4-2)9-11-6-5-7-19-11/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyFAPBLXUGGPEWTE-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.31
Rot. Bonds7

About 2-[[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid

2-[[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid (PubChem CID 65223097) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid
PubChem CID65223097
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-[[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid
SMILESCCC(CNC(=O)N(CC)CC1CCCO1)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-3-10(12(16)17)8-14-13(18)15(4-2)9-11-6-5-7-19-11/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyFAPBLXUGGPEWTE-UHFFFAOYSA-N
XLogP1.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]methyl]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

Related Compounds

2-[[[methyl(oxan-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid
CID 65223731
2-[[[cyclobutylmethyl(ethyl)carbamoyl]amino]methyl]butanoic acid
CID 107400099
2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 61438999
3-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 61438951
3-cyclopropyl-1-ethyl-1-(oxolan-2-ylmethyl)urea
CID 115590775
2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]butanoic acid
CID 104855763
7-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]heptanoic acid
CID 61438953
2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 61439565
(2R)-5-amino-2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid
CID 107830657
2-[[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]methyl]butanoic acid
CID 65220842
2-ethyl-4-(oxolan-2-yl)butanoic acid
CID 65161630
3-[(2R,6S)-2,6-dimethylcyclohexyl]-1-ethyl-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 95972940

Frequently Asked Questions

What is the IUPAC name of 2-[[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid?
The IUPAC name of 2-[[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid (CID 65223097) is 2-[[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid?
The canonical SMILES for 2-[[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid is CCC(CNC(=O)N(CC)CC1CCCO1)C(=O)O.
What is the InChIKey of 2-[[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid?
The InChIKey is FAPBLXUGGPEWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-3-10(12(16)17)8-14-13(18)15(4-2)9-11-6-5-7-19-11/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 2-[[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid?
2-[[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid is sourced from PubChem (CID 65223097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).