(2R)-2-(3-aminopyrazol-1-yl)pentanoic acid

C8H13N3O2 — CID 124669645

IUPAC(2R)-2-(3-aminopyrazol-1-yl)pentanoic acid
SMILESCCC[C@H](C(=O)O)n1ccc(N)n1
InChIInChI=1S/C8H13N3O2/c1-2-3-6(8(12)13)11-5-4-7(9)10-11/h4-6H,2-3H2,1H3,(H2,9,10)(H,12,13)/t6-/m1/s1
InChIKeyGBYAAEUOEQVDNT-ZCFIWIBFSA-N
MW183.21 g/mol
LogP0.89
Rot. Bonds4

About (2R)-2-(3-aminopyrazol-1-yl)pentanoic acid

(2R)-2-(3-aminopyrazol-1-yl)pentanoic acid (PubChem CID 124669645) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is (2R)-2-(3-aminopyrazol-1-yl)pentanoic acid.

Molecular Properties

Compound Name(2R)-2-(3-aminopyrazol-1-yl)pentanoic acid
PubChem CID124669645
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name(2R)-2-(3-aminopyrazol-1-yl)pentanoic acid
SMILESCCC[C@H](C(=O)O)n1ccc(N)n1
InChIInChI=1S/C8H13N3O2/c1-2-3-6(8(12)13)11-5-4-7(9)10-11/h4-6H,2-3H2,1H3,(H2,9,10)(H,12,13)/t6-/m1/s1
InChIKeyGBYAAEUOEQVDNT-ZCFIWIBFSA-N
XLogP0.89
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-aminopyrazol-1-yl)pentanoic acid?
The IUPAC name of (2R)-2-(3-aminopyrazol-1-yl)pentanoic acid (CID 124669645) is (2R)-2-(3-aminopyrazol-1-yl)pentanoic acid.
What is the SMILES notation for (2R)-2-(3-aminopyrazol-1-yl)pentanoic acid?
The canonical SMILES for (2R)-2-(3-aminopyrazol-1-yl)pentanoic acid is CCC[C@H](C(=O)O)n1ccc(N)n1.
What is the InChIKey of (2R)-2-(3-aminopyrazol-1-yl)pentanoic acid?
The InChIKey is GBYAAEUOEQVDNT-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-2-3-6(8(12)13)11-5-4-7(9)10-11/h4-6H,2-3H2,1H3,(H2,9,10)(H,12,13)/t6-/m1/s1.
What are the key properties of (2R)-2-(3-aminopyrazol-1-yl)pentanoic acid?
(2R)-2-(3-aminopyrazol-1-yl)pentanoic acid has a molecular weight of 183.21 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-aminopyrazol-1-yl)pentanoic acid is sourced from PubChem (CID 124669645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).