(2S)-N-ethoxyoxolane-2-carboxamide

C7H13NO3 — CID 103872070

IUPAC(2S)-N-ethoxyoxolane-2-carboxamide
SMILESCCONC(=O)[C@@H]1CCCO1
InChIInChI=1S/C7H13NO3/c1-2-11-8-7(9)6-4-3-5-10-6/h6H,2-5H2,1H3,(H,8,9)/t6-/m0/s1
InChIKeyNOYFSPMYRHYESH-LURJTMIESA-N
MW159.18 g/mol
LogP0.23
Rot. Bonds3

About (2S)-N-ethoxyoxolane-2-carboxamide

(2S)-N-ethoxyoxolane-2-carboxamide (PubChem CID 103872070) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is (2S)-N-ethoxyoxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-ethoxyoxolane-2-carboxamide
PubChem CID103872070
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(2S)-N-ethoxyoxolane-2-carboxamide
SMILESCCONC(=O)[C@@H]1CCCO1
InChIInChI=1S/C7H13NO3/c1-2-11-8-7(9)6-4-3-5-10-6/h6H,2-5H2,1H3,(H,8,9)/t6-/m0/s1
InChIKeyNOYFSPMYRHYESH-LURJTMIESA-N
XLogP0.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(2-amino-2-oxoethoxy)oxolane-2-carboxamide
CID 103901237
2-[[(2R)-oxolane-2-carbonyl]amino]oxyacetic acid
CID 104855713
N-(2,2,2-trifluoroethoxy)oxolane-2-carboxamide
CID 81341090
ethyl 3-oxo-3-[(2S)-oxolan-2-yl]propanoate
CID 40787289
N-cyclopentyloxyoxane-2-carboxamide
CID 83202578
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]oxolane-2-carboxamide
CID 103890903
ethyl 4-[[(2S)-oxolane-2-carbonyl]amino]butanoate
CID 103872319
(2R)-N-(methoxymethyl)oxolane-2-carboxamide
CID 68732384
N-ethoxy-2-methyloxane-4-carboxamide
CID 131133773
(2S)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]oxolane-2-carboxamide
CID 107846708
N-(2-amino-4-ethoxycyclobutyl)oxolane-2-carboxamide
CID 66195111
ethyl 3-(oxane-2-carbonylamino)propanoate
CID 62213374

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethoxyoxolane-2-carboxamide?
The IUPAC name of (2S)-N-ethoxyoxolane-2-carboxamide (CID 103872070) is (2S)-N-ethoxyoxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-ethoxyoxolane-2-carboxamide?
The canonical SMILES for (2S)-N-ethoxyoxolane-2-carboxamide is CCONC(=O)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-ethoxyoxolane-2-carboxamide?
The InChIKey is NOYFSPMYRHYESH-LURJTMIESA-N. The full InChI is InChI=1S/C7H13NO3/c1-2-11-8-7(9)6-4-3-5-10-6/h6H,2-5H2,1H3,(H,8,9)/t6-/m0/s1.
What are the key properties of (2S)-N-ethoxyoxolane-2-carboxamide?
(2S)-N-ethoxyoxolane-2-carboxamide has a molecular weight of 159.18 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethoxyoxolane-2-carboxamide is sourced from PubChem (CID 103872070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).