(2S)-N-[(1-hydroxycycloheptyl)methyl]oxolane-2-carboxamide

C13H23NO3 — CID 113342862

IUPAC(2S)-N-[(1-hydroxycycloheptyl)methyl]oxolane-2-carboxamide
SMILESO=C(NCC1(O)CCCCCC1)[C@@H]1CCCO1
InChIInChI=1S/C13H23NO3/c15-12(11-6-5-9-17-11)14-10-13(16)7-3-1-2-4-8-13/h11,16H,1-10H2,(H,14,15)/t11-/m0/s1
InChIKeyVNKINNOTFHTCOV-NSHDSACASA-N
MW241.33 g/mol
LogP1.37
Rot. Bonds3

About (2S)-N-[(1-hydroxycycloheptyl)methyl]oxolane-2-carboxamide

(2S)-N-[(1-hydroxycycloheptyl)methyl]oxolane-2-carboxamide (PubChem CID 113342862) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is (2S)-N-[(1-hydroxycycloheptyl)methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1-hydroxycycloheptyl)methyl]oxolane-2-carboxamide
PubChem CID113342862
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name(2S)-N-[(1-hydroxycycloheptyl)methyl]oxolane-2-carboxamide
SMILESO=C(NCC1(O)CCCCCC1)[C@@H]1CCCO1
InChIInChI=1S/C13H23NO3/c15-12(11-6-5-9-17-11)14-10-13(16)7-3-1-2-4-8-13/h11,16H,1-10H2,(H,14,15)/t11-/m0/s1
InChIKeyVNKINNOTFHTCOV-NSHDSACASA-N
XLogP1.37
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxycycloheptyl)methyl]oxane-2-carboxamide
CID 65123536
N-[(1-hydroxycyclopentyl)methyl]oxane-2-carboxamide
CID 65113697
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]oxane-2-carboxamide
CID 65119023
1-[[[(2R)-oxolane-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 104855915
N-[(3-hydroxypyrrolidin-3-yl)methyl]oxane-2-carboxamide
CID 114760680
N-[[1-(hydroxymethyl)cyclohexyl]methyl]oxane-2-carboxamide
CID 112702852
2-[1-[[[(2R)-oxolane-2-carbonyl]amino]methyl]cyclobutyl]acetic acid
CID 104855883
2-[1-[(oxolane-2-carbonylamino)methyl]cyclobutyl]acetic acid
CID 81163593
N-[(1-hydroxycyclohexyl)methyl]cycloheptanecarboxamide
CID 65114198
(2S)-N-[(3-methyloxetan-3-yl)methyl]oxolane-2-carboxamide
CID 103872794
N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]oxolane-2-carboxamide
CID 91957399
(2S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide
CID 97100966

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1-hydroxycycloheptyl)methyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[(1-hydroxycycloheptyl)methyl]oxolane-2-carboxamide (CID 113342862) is (2S)-N-[(1-hydroxycycloheptyl)methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[(1-hydroxycycloheptyl)methyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[(1-hydroxycycloheptyl)methyl]oxolane-2-carboxamide is O=C(NCC1(O)CCCCCC1)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[(1-hydroxycycloheptyl)methyl]oxolane-2-carboxamide?
The InChIKey is VNKINNOTFHTCOV-NSHDSACASA-N. The full InChI is InChI=1S/C13H23NO3/c15-12(11-6-5-9-17-11)14-10-13(16)7-3-1-2-4-8-13/h11,16H,1-10H2,(H,14,15)/t11-/m0/s1.
What are the key properties of (2S)-N-[(1-hydroxycycloheptyl)methyl]oxolane-2-carboxamide?
(2S)-N-[(1-hydroxycycloheptyl)methyl]oxolane-2-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1-hydroxycycloheptyl)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 113342862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).