(2S)-2-amino-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propanoic acid

C9H13N3O2 — CID 169025297

IUPAC(2S)-2-amino-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propanoic acid
SMILESN[C@@H](Cc1n[nH]c2c1CCC2)C(=O)O
InChIInChI=1S/C9H13N3O2/c10-6(9(13)14)4-8-5-2-1-3-7(5)11-12-8/h6H,1-4,10H2,(H,11,12)(H,13,14)/t6-/m0/s1
InChIKeyBAGDWFGBWUTKMI-LURJTMIESA-N
MW195.22 g/mol
LogP-0.15
Rot. Bonds3

About (2S)-2-amino-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propanoic acid

(2S)-2-amino-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propanoic acid (PubChem CID 169025297) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is (2S)-2-amino-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propanoic acid
PubChem CID169025297
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name(2S)-2-amino-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propanoic acid
SMILESN[C@@H](Cc1n[nH]c2c1CCC2)C(=O)O
InChIInChI=1S/C9H13N3O2/c10-6(9(13)14)4-8-5-2-1-3-7(5)11-12-8/h6H,1-4,10H2,(H,11,12)(H,13,14)/t6-/m0/s1
InChIKeyBAGDWFGBWUTKMI-LURJTMIESA-N
XLogP-0.15
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propanoic acid (CID 169025297) is (2S)-2-amino-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propanoic acid is N[C@@H](Cc1n[nH]c2c1CCC2)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propanoic acid?
The InChIKey is BAGDWFGBWUTKMI-LURJTMIESA-N. The full InChI is InChI=1S/C9H13N3O2/c10-6(9(13)14)4-8-5-2-1-3-7(5)11-12-8/h6H,1-4,10H2,(H,11,12)(H,13,14)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propanoic acid?
(2S)-2-amino-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propanoic acid has a molecular weight of 195.22 g/mol, XLogP of -0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propanoic acid is sourced from PubChem (CID 169025297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).