1-[[[(2R)-oxolane-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid

C13H21NO4 — CID 104855915

IUPAC1-[[[(2R)-oxolane-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCCCC1)[C@H]1CCCO1
InChIInChI=1S/C13H21NO4/c15-11(10-5-4-8-18-10)14-9-13(12(16)17)6-2-1-3-7-13/h10H,1-9H2,(H,14,15)(H,16,17)/t10-/m1/s1
InChIKeyGNOBOVNSINWJKF-SNVBAGLBSA-N
MW255.31 g/mol
LogP1.32
Rot. Bonds4

About 1-[[[(2R)-oxolane-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid

1-[[[(2R)-oxolane-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 104855915) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-[[[(2R)-oxolane-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[(2R)-oxolane-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID104855915
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name1-[[[(2R)-oxolane-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCCCC1)[C@H]1CCCO1
InChIInChI=1S/C13H21NO4/c15-11(10-5-4-8-18-10)14-9-13(12(16)17)6-2-1-3-7-13/h10H,1-9H2,(H,14,15)(H,16,17)/t10-/m1/s1
InChIKeyGNOBOVNSINWJKF-SNVBAGLBSA-N
XLogP1.32
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[[(2R)-oxolane-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

(2S)-N-[(1-hydroxycycloheptyl)methyl]oxolane-2-carboxamide
CID 113342862
N-[[1-(hydroxymethyl)cyclohexyl]methyl]oxane-2-carboxamide
CID 112702852
2-[1-[(oxolane-2-carbonylamino)methyl]cyclobutyl]acetic acid
CID 81163593
2-[1-[[[(2R)-oxolane-2-carbonyl]amino]methyl]cyclobutyl]acetic acid
CID 104855883
N-[(1-hydroxycycloheptyl)methyl]oxane-2-carboxamide
CID 65123536
1-[[(3-methyloxolane-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 113309602
1-[(cyclohexanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 69400249
1-[(morpholine-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 115445861
N-[(1-hydroxycyclopentyl)methyl]oxane-2-carboxamide
CID 65113697
N-[(1-phenylcyclopropyl)methyl]oxolane-2-carboxamide
CID 42940584
(2S)-N-[(3-methyloxetan-3-yl)methyl]oxolane-2-carboxamide
CID 103872794
N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]oxolane-2-carboxamide
CID 91957399

Frequently Asked Questions

What is the IUPAC name of 1-[[[(2R)-oxolane-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[[(2R)-oxolane-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid (CID 104855915) is 1-[[[(2R)-oxolane-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[[(2R)-oxolane-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[[(2R)-oxolane-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid is O=C(NCC1(C(=O)O)CCCCC1)[C@H]1CCCO1.
What is the InChIKey of 1-[[[(2R)-oxolane-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is GNOBOVNSINWJKF-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21NO4/c15-11(10-5-4-8-18-10)14-9-13(12(16)17)6-2-1-3-7-13/h10H,1-9H2,(H,14,15)(H,16,17)/t10-/m1/s1.
What are the key properties of 1-[[[(2R)-oxolane-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid?
1-[[[(2R)-oxolane-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 255.31 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[(2R)-oxolane-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 104855915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).