trans-(1R,2R)-2-aminocyclopropane-1-carboxamide

C4H8N2O — CID 89465194

IUPACtrans-(1R,2R)-2-aminocyclopropane-1-carboxamide
SMILESNC(=O)[C@@H]1C[C@H]1N
InChIInChI=1S/C4H8N2O/c5-3-1-2(3)4(6)7/h2-3H,1,5H2,(H2,6,7)/t2-,3-/m1/s1
InChIKeyNYJLOBSPMAAEBN-PWNYCUMCSA-N
MW100.12 g/mol
LogP-1.18
Rot. Bonds1

About trans-(1R,2R)-2-aminocyclopropane-1-carboxamide

trans-(1R,2R)-2-aminocyclopropane-1-carboxamide (PubChem CID 89465194) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is trans-(1R,2R)-2-aminocyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-aminocyclopropane-1-carboxamide
PubChem CID89465194
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Nametrans-(1R,2R)-2-aminocyclopropane-1-carboxamide
SMILESNC(=O)[C@@H]1C[C@H]1N
InChIInChI=1S/C4H8N2O/c5-3-1-2(3)4(6)7/h2-3H,1,5H2,(H2,6,7)/t2-,3-/m1/s1
InChIKeyNYJLOBSPMAAEBN-PWNYCUMCSA-N
XLogP-1.18
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-aminocyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-aminocyclopropane-1-carboxamide (CID 89465194) is trans-(1R,2R)-2-aminocyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-aminocyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-aminocyclopropane-1-carboxamide is NC(=O)[C@@H]1C[C@H]1N.
What is the InChIKey of trans-(1R,2R)-2-aminocyclopropane-1-carboxamide?
The InChIKey is NYJLOBSPMAAEBN-PWNYCUMCSA-N. The full InChI is InChI=1S/C4H8N2O/c5-3-1-2(3)4(6)7/h2-3H,1,5H2,(H2,6,7)/t2-,3-/m1/s1.
What are the key properties of trans-(1R,2R)-2-aminocyclopropane-1-carboxamide?
trans-(1R,2R)-2-aminocyclopropane-1-carboxamide has a molecular weight of 100.12 g/mol, XLogP of -1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-aminocyclopropane-1-carboxamide is sourced from PubChem (CID 89465194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).