(2S,5S)-5-(aminomethyl)oxolane-2-carboxamide

C6H12N2O2 — CID 95972308

IUPAC(2S,5S)-5-(aminomethyl)oxolane-2-carboxamide
SMILESNC[C@@H]1CC[C@@H](C(N)=O)O1
InChIInChI=1S/C6H12N2O2/c7-3-4-1-2-5(10-4)6(8)9/h4-5H,1-3,7H2,(H2,8,9)/t4-,5-/m0/s1
InChIKeyBYBXYUAZGZUZOB-WHFBIAKZSA-N
MW144.17 g/mol
LogP-1.02
Rot. Bonds2

About (2S,5S)-5-(aminomethyl)oxolane-2-carboxamide

(2S,5S)-5-(aminomethyl)oxolane-2-carboxamide (PubChem CID 95972308) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is (2S,5S)-5-(aminomethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5S)-5-(aminomethyl)oxolane-2-carboxamide
PubChem CID95972308
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name(2S,5S)-5-(aminomethyl)oxolane-2-carboxamide
SMILESNC[C@@H]1CC[C@@H](C(N)=O)O1
InChIInChI=1S/C6H12N2O2/c7-3-4-1-2-5(10-4)6(8)9/h4-5H,1-3,7H2,(H2,8,9)/t4-,5-/m0/s1
InChIKeyBYBXYUAZGZUZOB-WHFBIAKZSA-N
XLogP-1.02
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-(-)-Tetrahydrofuran-2-carboxamide
CID 11366972
Oxolane-2-carboxamide
CID 3544692
(2R)-Oxolane-2-carboxamide
CID 12082059
2,5-Tetrahydrofurandicarboxamide
CID 13439968
5-(Trifluoromethyl)oxolane-2-carboxamide
CID 166160858
5-(aminomethyl)-N-(2,2,2-trifluoroethoxy)oxolane-2-carboxamide
CID 82721458
2-Methoxyhexanediamide
CID 20040478
5-Methyloxolane-2-carboxamide
CID 80956581
5-Aminooxolane-2-carboxamide
CID 89314809
(5S)-5-aminooxolane-2-carboxamide
CID 89314810
(2S,5R)-5-(aminomethyl)oxolane-2-carbaldehyde
CID 117810334
(2S)-5-(aminomethyl)-N-methyloxolane-2-carboxamide
CID 126554120

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-(aminomethyl)oxolane-2-carboxamide?
The IUPAC name of (2S,5S)-5-(aminomethyl)oxolane-2-carboxamide (CID 95972308) is (2S,5S)-5-(aminomethyl)oxolane-2-carboxamide.
What is the SMILES notation for (2S,5S)-5-(aminomethyl)oxolane-2-carboxamide?
The canonical SMILES for (2S,5S)-5-(aminomethyl)oxolane-2-carboxamide is NC[C@@H]1CC[C@@H](C(N)=O)O1.
What is the InChIKey of (2S,5S)-5-(aminomethyl)oxolane-2-carboxamide?
The InChIKey is BYBXYUAZGZUZOB-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H12N2O2/c7-3-4-1-2-5(10-4)6(8)9/h4-5H,1-3,7H2,(H2,8,9)/t4-,5-/m0/s1.
What are the key properties of (2S,5S)-5-(aminomethyl)oxolane-2-carboxamide?
(2S,5S)-5-(aminomethyl)oxolane-2-carboxamide has a molecular weight of 144.17 g/mol, XLogP of -1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-(aminomethyl)oxolane-2-carboxamide is sourced from PubChem (CID 95972308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).