(3S)-3-amino-3-(1-methylpyrazol-3-yl)pentanoic acid

C9H15N3O2 — CID 122538037

IUPAC(3S)-3-amino-3-(1-methylpyrazol-3-yl)pentanoic acid
SMILESCC[C@](N)(CC(=O)O)c1ccn(C)n1
InChIInChI=1S/C9H15N3O2/c1-3-9(10,6-8(13)14)7-4-5-12(2)11-7/h4-5H,3,6,10H2,1-2H3,(H,13,14)/t9-/m0/s1
InChIKeyALZUOXTVVSPGGK-VIFPVBQESA-N
MW197.24 g/mol
LogP0.46
Rot. Bonds4

About (3S)-3-amino-3-(1-methylpyrazol-3-yl)pentanoic acid

(3S)-3-amino-3-(1-methylpyrazol-3-yl)pentanoic acid (PubChem CID 122538037) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is (3S)-3-amino-3-(1-methylpyrazol-3-yl)pentanoic acid.

Molecular Properties

Compound Name(3S)-3-amino-3-(1-methylpyrazol-3-yl)pentanoic acid
PubChem CID122538037
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name(3S)-3-amino-3-(1-methylpyrazol-3-yl)pentanoic acid
SMILESCC[C@](N)(CC(=O)O)c1ccn(C)n1
InChIInChI=1S/C9H15N3O2/c1-3-9(10,6-8(13)14)7-4-5-12(2)11-7/h4-5H,3,6,10H2,1-2H3,(H,13,14)/t9-/m0/s1
InChIKeyALZUOXTVVSPGGK-VIFPVBQESA-N
XLogP0.46
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(1-methylpyrazol-3-yl)pentanoic acid?
The IUPAC name of (3S)-3-amino-3-(1-methylpyrazol-3-yl)pentanoic acid (CID 122538037) is (3S)-3-amino-3-(1-methylpyrazol-3-yl)pentanoic acid.
What is the SMILES notation for (3S)-3-amino-3-(1-methylpyrazol-3-yl)pentanoic acid?
The canonical SMILES for (3S)-3-amino-3-(1-methylpyrazol-3-yl)pentanoic acid is CC[C@](N)(CC(=O)O)c1ccn(C)n1.
What is the InChIKey of (3S)-3-amino-3-(1-methylpyrazol-3-yl)pentanoic acid?
The InChIKey is ALZUOXTVVSPGGK-VIFPVBQESA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-9(10,6-8(13)14)7-4-5-12(2)11-7/h4-5H,3,6,10H2,1-2H3,(H,13,14)/t9-/m0/s1.
What are the key properties of (3S)-3-amino-3-(1-methylpyrazol-3-yl)pentanoic acid?
(3S)-3-amino-3-(1-methylpyrazol-3-yl)pentanoic acid has a molecular weight of 197.24 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-(1-methylpyrazol-3-yl)pentanoic acid is sourced from PubChem (CID 122538037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).