2-[1-[[[(2R)-oxolane-2-carbonyl]amino]methyl]cyclobutyl]acetic acid

C12H19NO4 — CID 104855883

IUPAC2-[1-[[[(2R)-oxolane-2-carbonyl]amino]methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)[C@H]2CCCO2)CCC1
InChIInChI=1S/C12H19NO4/c14-10(15)7-12(4-2-5-12)8-13-11(16)9-3-1-6-17-9/h9H,1-8H2,(H,13,16)(H,14,15)/t9-/m1/s1
InChIKeyWGLVLFTWRDICOF-SECBINFHSA-N
MW241.29 g/mol
LogP0.93
Rot. Bonds5

About 2-[1-[[[(2R)-oxolane-2-carbonyl]amino]methyl]cyclobutyl]acetic acid

2-[1-[[[(2R)-oxolane-2-carbonyl]amino]methyl]cyclobutyl]acetic acid (PubChem CID 104855883) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[1-[[[(2R)-oxolane-2-carbonyl]amino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[[(2R)-oxolane-2-carbonyl]amino]methyl]cyclobutyl]acetic acid
PubChem CID104855883
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name2-[1-[[[(2R)-oxolane-2-carbonyl]amino]methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)[C@H]2CCCO2)CCC1
InChIInChI=1S/C12H19NO4/c14-10(15)7-12(4-2-5-12)8-13-11(16)9-3-1-6-17-9/h9H,1-8H2,(H,13,16)(H,14,15)/t9-/m1/s1
InChIKeyWGLVLFTWRDICOF-SECBINFHSA-N
XLogP0.93
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(oxolane-2-carbonylamino)methyl]cyclobutyl]acetic acid
CID 81163593
N-[[1-(hydroxymethyl)cyclohexyl]methyl]oxane-2-carboxamide
CID 112702852
1-[[[(2R)-oxolane-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 104855915
(2S)-N-[(1-hydroxycycloheptyl)methyl]oxolane-2-carboxamide
CID 113342862
(2S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide
CID 97100966
2-[1-[(cycloheptanecarbonylamino)methyl]cyclobutyl]acetic acid
CID 81164488
2-[1-[[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]methyl]cyclobutyl]acetic acid
CID 81163231
N-[(1-hydroxycyclopentyl)methyl]oxane-2-carboxamide
CID 65113697
N-[(1-hydroxycycloheptyl)methyl]oxane-2-carboxamide
CID 65123536
N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]oxolane-2-carboxamide
CID 91957399
2-[1-[[(2,2-dimethylcyclopropanecarbonyl)amino]methyl]cyclobutyl]acetic acid
CID 107000485
N-[(1-phenylcyclopropyl)methyl]oxolane-2-carboxamide
CID 42940584

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[[(2R)-oxolane-2-carbonyl]amino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[[(2R)-oxolane-2-carbonyl]amino]methyl]cyclobutyl]acetic acid (CID 104855883) is 2-[1-[[[(2R)-oxolane-2-carbonyl]amino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[[(2R)-oxolane-2-carbonyl]amino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[[(2R)-oxolane-2-carbonyl]amino]methyl]cyclobutyl]acetic acid is O=C(O)CC1(CNC(=O)[C@H]2CCCO2)CCC1.
What is the InChIKey of 2-[1-[[[(2R)-oxolane-2-carbonyl]amino]methyl]cyclobutyl]acetic acid?
The InChIKey is WGLVLFTWRDICOF-SECBINFHSA-N. The full InChI is InChI=1S/C12H19NO4/c14-10(15)7-12(4-2-5-12)8-13-11(16)9-3-1-6-17-9/h9H,1-8H2,(H,13,16)(H,14,15)/t9-/m1/s1.
What are the key properties of 2-[1-[[[(2R)-oxolane-2-carbonyl]amino]methyl]cyclobutyl]acetic acid?
2-[1-[[[(2R)-oxolane-2-carbonyl]amino]methyl]cyclobutyl]acetic acid has a molecular weight of 241.29 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[[(2R)-oxolane-2-carbonyl]amino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 104855883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).