2-(aminomethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylic acid

C8H14N2O3 — CID 135346479

IUPAC2-(aminomethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylic acid
SMILESNCC1CC2CN(C(=O)O)CC2O1
InChIInChI=1S/C8H14N2O3/c9-2-6-1-5-3-10(8(11)12)4-7(5)13-6/h5-7H,1-4,9H2,(H,11,12)
InChIKeyNKYCQULLLAAPJR-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.29
Rot. Bonds1

About 2-(aminomethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylic acid

2-(aminomethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylic acid (PubChem CID 135346479) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-(aminomethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylic acid.

Molecular Properties

Compound Name2-(aminomethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylic acid
PubChem CID135346479
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name2-(aminomethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylic acid
SMILESNCC1CC2CN(C(=O)O)CC2O1
InChIInChI=1S/C8H14N2O3/c9-2-6-1-5-3-10(8(11)12)4-7(5)13-6/h5-7H,1-4,9H2,(H,11,12)
InChIKeyNKYCQULLLAAPJR-UHFFFAOYSA-N
XLogP-0.29
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylic acid
CID 135347050
(1S,5R)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 170429882
(3aR)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid
CID 134587542
2-[(2R,3aS,6aS)-5-(cyclopropanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-pyrrolidin-1-ylethanone
CID 155879144
(3aS)-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-d][1,2]oxazole-5-carboxylic acid
CID 175495601
5-acetyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-2-carboxylic acid
CID 167720191
1-[(2S,3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-3-fluoropropan-1-one
CID 131688542
(3aR,6aS)-5-(aminomethyl)-5-fluoro-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid
CID 67605956
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone
CID 120785954
tert-butyl (2R,3aR,6aR)-2-(phenylmethoxycarbonylaminomethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylate
CID 97111035
(3R,4R)-3,4-diaminopyrrolidine-1-carboxylic acid
CID 134211031
2,6-dimethylmorpholine-4-carboxylic acid
CID 22047773

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylic acid?
The IUPAC name of 2-(aminomethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylic acid (CID 135346479) is 2-(aminomethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylic acid.
What is the SMILES notation for 2-(aminomethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylic acid?
The canonical SMILES for 2-(aminomethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylic acid is NCC1CC2CN(C(=O)O)CC2O1.
What is the InChIKey of 2-(aminomethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylic acid?
The InChIKey is NKYCQULLLAAPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c9-2-6-1-5-3-10(8(11)12)4-7(5)13-6/h5-7H,1-4,9H2,(H,11,12).
What are the key properties of 2-(aminomethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylic acid?
2-(aminomethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylic acid has a molecular weight of 186.21 g/mol, XLogP of -0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylic acid is sourced from PubChem (CID 135346479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).