(2S)-N-(2-amino-2-oxoethoxy)oxolane-2-carboxamide

C7H12N2O4 — CID 103901237

IUPAC(2S)-N-(2-amino-2-oxoethoxy)oxolane-2-carboxamide
SMILESNC(=O)CONC(=O)[C@@H]1CCCO1
InChIInChI=1S/C7H12N2O4/c8-6(10)4-13-9-7(11)5-2-1-3-12-5/h5H,1-4H2,(H2,8,10)(H,9,11)/t5-/m0/s1
InChIKeyFHHVEMFBUMWVHX-YFKPBYRVSA-N
MW188.18 g/mol
LogP-1.30
Rot. Bonds4

About (2S)-N-(2-amino-2-oxoethoxy)oxolane-2-carboxamide

(2S)-N-(2-amino-2-oxoethoxy)oxolane-2-carboxamide (PubChem CID 103901237) has the molecular formula C7H12N2O4 and a molecular weight of 188.18 g/mol. Its IUPAC name is (2S)-N-(2-amino-2-oxoethoxy)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-amino-2-oxoethoxy)oxolane-2-carboxamide
PubChem CID103901237
Molecular FormulaC7H12N2O4
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name(2S)-N-(2-amino-2-oxoethoxy)oxolane-2-carboxamide
SMILESNC(=O)CONC(=O)[C@@H]1CCCO1
InChIInChI=1S/C7H12N2O4/c8-6(10)4-13-9-7(11)5-2-1-3-12-5/h5H,1-4H2,(H2,8,10)(H,9,11)/t5-/m0/s1
InChIKeyFHHVEMFBUMWVHX-YFKPBYRVSA-N
XLogP-1.30
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-1.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2R)-oxolane-2-carbonyl]amino]oxyacetic acid
CID 104855713
(2S)-N-ethoxyoxolane-2-carboxamide
CID 103872070
N-(2,2,2-trifluoroethoxy)oxolane-2-carboxamide
CID 81341090
N-(2-amino-2-oxoethoxy)cycloheptanecarboxamide
CID 112550660
N-cyclopentyloxyoxane-2-carboxamide
CID 83202578
N-(2-amino-2-sulfanylideneethyl)oxane-2-carboxamide
CID 62212636
(2R)-N-(methoxymethyl)oxolane-2-carboxamide
CID 68732384
(2R)-N-(2-amino-2-cyclopropylethyl)oxolane-2-carboxamide
CID 104856432
(2R)-N-cyclopropyloxolane-2-carboxamide
CID 40569533
(2S)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]oxolane-2-carboxamide
CID 107846708
N-(3-amino-3-sulfanylidenepropyl)oxane-2-carboxamide
CID 62667262
(2R)-N-[2-(aminomethyl)cyclopentyl]oxolane-2-carboxamide
CID 104856349

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-amino-2-oxoethoxy)oxolane-2-carboxamide?
The IUPAC name of (2S)-N-(2-amino-2-oxoethoxy)oxolane-2-carboxamide (CID 103901237) is (2S)-N-(2-amino-2-oxoethoxy)oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-amino-2-oxoethoxy)oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-(2-amino-2-oxoethoxy)oxolane-2-carboxamide is NC(=O)CONC(=O)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-(2-amino-2-oxoethoxy)oxolane-2-carboxamide?
The InChIKey is FHHVEMFBUMWVHX-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H12N2O4/c8-6(10)4-13-9-7(11)5-2-1-3-12-5/h5H,1-4H2,(H2,8,10)(H,9,11)/t5-/m0/s1.
What are the key properties of (2S)-N-(2-amino-2-oxoethoxy)oxolane-2-carboxamide?
(2S)-N-(2-amino-2-oxoethoxy)oxolane-2-carboxamide has a molecular weight of 188.18 g/mol, XLogP of -1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-amino-2-oxoethoxy)oxolane-2-carboxamide is sourced from PubChem (CID 103901237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).