2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]butanoic acid

C10H17NO4 — CID 104855763

IUPAC2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]butanoic acid
SMILESCCC(CNC(=O)[C@H]1CCCO1)C(=O)O
InChIInChI=1S/C10H17NO4/c1-2-7(10(13)14)6-11-9(12)8-4-3-5-15-8/h7-8H,2-6H2,1H3,(H,11,12)(H,13,14)/t7?,8-/m1/s1
InChIKeyPOIOWEQVHNMCPC-BRFYHDHCSA-N
MW215.25 g/mol
LogP0.39
Rot. Bonds5

About 2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]butanoic acid

2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]butanoic acid (PubChem CID 104855763) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]butanoic acid
PubChem CID104855763
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]butanoic acid
SMILESCCC(CNC(=O)[C@H]1CCCO1)C(=O)O
InChIInChI=1S/C10H17NO4/c1-2-7(10(13)14)6-11-9(12)8-4-3-5-15-8/h7-8H,2-6H2,1H3,(H,11,12)(H,13,14)/t7?,8-/m1/s1
InChIKeyPOIOWEQVHNMCPC-BRFYHDHCSA-N
XLogP0.39
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[[(2R)-oxolane-2-carbonyl]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

4-methyl-2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]pentanoic acid
CID 104855855
2-methyl-3-(oxolane-2-carbonylamino)propanoic acid
CID 53211445
2-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]propanoic acid
CID 104855649
2-hydroxy-3-(oxolane-2-carbonylamino)propanoic acid
CID 66166616
N-(2-hydroxypropyl)oxolane-2-carboxamide
CID 43392747
N-[(2R)-2-hydroxypropyl]oxolane-2-carboxamide
CID 83031393
3-methyl-2-[(oxane-2-carbonylamino)methyl]butanoic acid
CID 65219907
(2S)-N-[2-(2-hydroxyethyl)pentyl]oxolane-2-carboxamide
CID 103873564
N-(2-phenylbutyl)oxolane-2-carboxamide
CID 78800794
N-(3-hydroxy-2-methylpropyl)oxolane-2-carboxamide
CID 65037062
2-[[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid
CID 65223097
(2R)-N-[2-methyl-3-(methylamino)propyl]oxolane-2-carboxamide
CID 104856434

Frequently Asked Questions

What is the IUPAC name of 2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]butanoic acid?
The IUPAC name of 2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]butanoic acid (CID 104855763) is 2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]butanoic acid?
The canonical SMILES for 2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]butanoic acid is CCC(CNC(=O)[C@H]1CCCO1)C(=O)O.
What is the InChIKey of 2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]butanoic acid?
The InChIKey is POIOWEQVHNMCPC-BRFYHDHCSA-N. The full InChI is InChI=1S/C10H17NO4/c1-2-7(10(13)14)6-11-9(12)8-4-3-5-15-8/h7-8H,2-6H2,1H3,(H,11,12)(H,13,14)/t7?,8-/m1/s1.
What are the key properties of 2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]butanoic acid?
2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]butanoic acid has a molecular weight of 215.25 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]butanoic acid is sourced from PubChem (CID 104855763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).