trans-(1R,5R)-5-amino-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid

C11H19N3O3 — CID 24948565

IUPACtrans-(1R,5R)-5-amino-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid
SMILESN[C@@H]1CCC(N2CC[C@H](N)C2=O)[C@H](C(=O)O)C1
InChIInChI=1S/C11H19N3O3/c12-6-1-2-9(7(5-6)11(16)17)14-4-3-8(13)10(14)15/h6-9H,1-5,12-13H2,(H,16,17)/t6-,7-,8+,9?/m1/s1
InChIKeyWPXRUMVKBJJVIJ-JSXQXQAOSA-N
MW241.29 g/mol
LogP-0.87
Rot. Bonds2

About trans-(1R,5R)-5-amino-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid

trans-(1R,5R)-5-amino-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid (PubChem CID 24948565) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is trans-(1R,5R)-5-amino-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,5R)-5-amino-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid
PubChem CID24948565
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Nametrans-(1R,5R)-5-amino-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid
SMILESN[C@@H]1CCC(N2CC[C@H](N)C2=O)[C@H](C(=O)O)C1
InChIInChI=1S/C11H19N3O3/c12-6-1-2-9(7(5-6)11(16)17)14-4-3-8(13)10(14)15/h6-9H,1-5,12-13H2,(H,16,17)/t6-,7-,8+,9?/m1/s1
InChIKeyWPXRUMVKBJJVIJ-JSXQXQAOSA-N
XLogP-0.87
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,5R)-5-amino-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid?
The IUPAC name of trans-(1R,5R)-5-amino-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid (CID 24948565) is trans-(1R,5R)-5-amino-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,5R)-5-amino-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid?
The canonical SMILES for trans-(1R,5R)-5-amino-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid is N[C@@H]1CCC(N2CC[C@H](N)C2=O)[C@H](C(=O)O)C1.
What is the InChIKey of trans-(1R,5R)-5-amino-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid?
The InChIKey is WPXRUMVKBJJVIJ-JSXQXQAOSA-N. The full InChI is InChI=1S/C11H19N3O3/c12-6-1-2-9(7(5-6)11(16)17)14-4-3-8(13)10(14)15/h6-9H,1-5,12-13H2,(H,16,17)/t6-,7-,8+,9?/m1/s1.
What are the key properties of trans-(1R,5R)-5-amino-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid?
trans-(1R,5R)-5-amino-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of -0.87, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,5R)-5-amino-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 24948565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).