trans-(1S,2S)-2-aminocyclobutane-1-carboxamide

C5H10N2O — CID 97301417

IUPACtrans-(1S,2S)-2-aminocyclobutane-1-carboxamide
SMILESNC(=O)[C@H]1CC[C@@H]1N
InChIInChI=1S/C5H10N2O/c6-4-2-1-3(4)5(7)8/h3-4H,1-2,6H2,(H2,7,8)/t3-,4-/m0/s1
InChIKeyGYCOWFMUOXHPGW-IMJSIDKUSA-N
MW114.15 g/mol
LogP-0.79
Rot. Bonds1

About trans-(1S,2S)-2-aminocyclobutane-1-carboxamide

trans-(1S,2S)-2-aminocyclobutane-1-carboxamide (PubChem CID 97301417) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is trans-(1S,2S)-2-aminocyclobutane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-aminocyclobutane-1-carboxamide
PubChem CID97301417
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Nametrans-(1S,2S)-2-aminocyclobutane-1-carboxamide
SMILESNC(=O)[C@H]1CC[C@@H]1N
InChIInChI=1S/C5H10N2O/c6-4-2-1-3(4)5(7)8/h3-4H,1-2,6H2,(H2,7,8)/t3-,4-/m0/s1
InChIKeyGYCOWFMUOXHPGW-IMJSIDKUSA-N
XLogP-0.79
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-aminocyclopropane-1-carboxamide
CID 89465194
cis-(1S,2R)-2-aminocyclopentane-1-carboxamide;hydrochloride
CID 122236355
trans-(1R,2R)-2-aminocycloheptane-1-carboxamide
CID 95970217
trans-(1S,2S)-2-acetylcyclobutane-1-carboxamide
CID 55290686
trans-(1R,2R)-2-acetylcyclobutane-1-carboxamide
CID 45084156
2,3-dihydroxycyclopentane-1-carboxamide
CID 23103466
cis-(1R,2R)-2-(hydroxymethyl)cyclopropane-1-carboxamide
CID 70292237
bicyclo[3.1.0]hexane-2-carboxamide
CID 123217840
2-sulfanylcyclopropane-1-carboxamide
CID 123387138
cis-(1R,2R)-2-fluorocyclopropane-1-carboxamide
CID 119095885
(1S,2S,3S)-3-amino-2-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 22885763
trans-(1R,2R)-2-carbamoylcyclopropane-1-carboxylic acid
CID 13039560

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-aminocyclobutane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-aminocyclobutane-1-carboxamide (CID 97301417) is trans-(1S,2S)-2-aminocyclobutane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-aminocyclobutane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-aminocyclobutane-1-carboxamide is NC(=O)[C@H]1CC[C@@H]1N.
What is the InChIKey of trans-(1S,2S)-2-aminocyclobutane-1-carboxamide?
The InChIKey is GYCOWFMUOXHPGW-IMJSIDKUSA-N. The full InChI is InChI=1S/C5H10N2O/c6-4-2-1-3(4)5(7)8/h3-4H,1-2,6H2,(H2,7,8)/t3-,4-/m0/s1.
What are the key properties of trans-(1S,2S)-2-aminocyclobutane-1-carboxamide?
trans-(1S,2S)-2-aminocyclobutane-1-carboxamide has a molecular weight of 114.15 g/mol, XLogP of -0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-aminocyclobutane-1-carboxamide is sourced from PubChem (CID 97301417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).