(2S)-2-amino-3-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)propanoic acid

C10H15N3O2 — CID 172530040

IUPAC(2S)-2-amino-3-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)propanoic acid
SMILESCn1nc(C[C@H](N)C(=O)O)c2c1CCC2
InChIInChI=1S/C10H15N3O2/c1-13-9-4-2-3-6(9)8(12-13)5-7(11)10(14)15/h7H,2-5,11H2,1H3,(H,14,15)/t7-/m0/s1
InChIKeyKYTIAIBCBIMCBR-ZETCQYMHSA-N
MW209.25 g/mol
LogP-0.14
Rot. Bonds3

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

(2S)-2-amino-3-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)propanoic acid (PubChem CID 172530040) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is (2S)-2-amino-3-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)propanoic acid
PubChem CID172530040
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name(2S)-2-amino-3-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)propanoic acid
SMILESCn1nc(C[C@H](N)C(=O)O)c2c1CCC2
InChIInChI=1S/C10H15N3O2/c1-13-9-4-2-3-6(9)8(12-13)5-7(11)10(14)15/h7H,2-5,11H2,1H3,(H,14,15)/t7-/m0/s1
InChIKeyKYTIAIBCBIMCBR-ZETCQYMHSA-N
XLogP-0.14
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)propanoic acid (CID 172530040) is (2S)-2-amino-3-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)propanoic acid is Cn1nc(C[C@H](N)C(=O)O)c2c1CCC2.
What is the InChIKey of (2S)-2-amino-3-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)propanoic acid?
The InChIKey is KYTIAIBCBIMCBR-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-13-9-4-2-3-6(9)8(12-13)5-7(11)10(14)15/h7H,2-5,11H2,1H3,(H,14,15)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-3-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)propanoic acid?
(2S)-2-amino-3-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)propanoic acid has a molecular weight of 209.25 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)propanoic acid is sourced from PubChem (CID 172530040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).