2-methyl-3-(oxolane-2-carbonylamino)propanoic acid

C9H15NO4 — CID 53211445

IUPAC2-methyl-3-(oxolane-2-carbonylamino)propanoic acid
SMILESCC(CNC(=O)C1CCCO1)C(=O)O
InChIInChI=1S/C9H15NO4/c1-6(9(12)13)5-10-8(11)7-3-2-4-14-7/h6-7H,2-5H2,1H3,(H,10,11)(H,12,13)
InChIKeyKCKIRYHLVGPDLF-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.00
Rot. Bonds4

About 2-methyl-3-(oxolane-2-carbonylamino)propanoic acid

2-methyl-3-(oxolane-2-carbonylamino)propanoic acid (PubChem CID 53211445) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-methyl-3-(oxolane-2-carbonylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(oxolane-2-carbonylamino)propanoic acid
PubChem CID53211445
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-methyl-3-(oxolane-2-carbonylamino)propanoic acid
SMILESCC(CNC(=O)C1CCCO1)C(=O)O
InChIInChI=1S/C9H15NO4/c1-6(9(12)13)5-10-8(11)7-3-2-4-14-7/h6-7H,2-5H2,1H3,(H,10,11)(H,12,13)
InChIKeyKCKIRYHLVGPDLF-UHFFFAOYSA-N
XLogP0.00
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]propanoic acid
CID 104855649
N-(3-hydroxy-2-methylpropyl)oxolane-2-carboxamide
CID 65037062
N-[(2R)-2-hydroxypropyl]oxolane-2-carboxamide
CID 83031393
N-(2-hydroxypropyl)oxolane-2-carboxamide
CID 43392747
2-hydroxy-3-(oxolane-2-carbonylamino)propanoic acid
CID 66166616
4-methyl-2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]pentanoic acid
CID 104855855
2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]butanoic acid
CID 104855763
3-methyl-2-[(oxane-2-carbonylamino)methyl]butanoic acid
CID 65219907
(2R)-N-[2-methyl-3-(methylamino)propyl]oxolane-2-carboxamide
CID 104856434
(2R)-N-(2-hydroxy-4-methylpentyl)oxolane-2-carboxamide
CID 103850592
(2S)-N-(2-hydroxy-4-methylpentyl)oxolane-2-carboxamide
CID 103873933
N-[(2S)-2-amino-4-methylpentyl]oxolane-2-carboxamide
CID 70906725

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(oxolane-2-carbonylamino)propanoic acid?
The IUPAC name of 2-methyl-3-(oxolane-2-carbonylamino)propanoic acid (CID 53211445) is 2-methyl-3-(oxolane-2-carbonylamino)propanoic acid.
What is the SMILES notation for 2-methyl-3-(oxolane-2-carbonylamino)propanoic acid?
The canonical SMILES for 2-methyl-3-(oxolane-2-carbonylamino)propanoic acid is CC(CNC(=O)C1CCCO1)C(=O)O.
What is the InChIKey of 2-methyl-3-(oxolane-2-carbonylamino)propanoic acid?
The InChIKey is KCKIRYHLVGPDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-6(9(12)13)5-10-8(11)7-3-2-4-14-7/h6-7H,2-5H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 2-methyl-3-(oxolane-2-carbonylamino)propanoic acid?
2-methyl-3-(oxolane-2-carbonylamino)propanoic acid has a molecular weight of 201.22 g/mol, XLogP of 0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(oxolane-2-carbonylamino)propanoic acid is sourced from PubChem (CID 53211445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).