methyl (2S)-2-amino-3-(3-propan-2-yl-1H-pyrazol-5-yl)propanoate

C10H17N3O2 — CID 59640765

IUPACmethyl (2S)-2-amino-3-(3-propan-2-yl-1H-pyrazol-5-yl)propanoate
SMILESCOC(=O)[C@@H](N)Cc1cc(C(C)C)n[nH]1
InChIInChI=1S/C10H17N3O2/c1-6(2)9-5-7(12-13-9)4-8(11)10(14)15-3/h5-6,8H,4,11H2,1-3H3,(H,12,13)/t8-/m0/s1
InChIKeyZAJLAXHLDDCFAA-QMMMGPOBSA-N
MW211.26 g/mol
LogP0.58
Rot. Bonds4

About methyl (2S)-2-amino-3-(3-propan-2-yl-1H-pyrazol-5-yl)propanoate

methyl (2S)-2-amino-3-(3-propan-2-yl-1H-pyrazol-5-yl)propanoate (PubChem CID 59640765) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is methyl (2S)-2-amino-3-(3-propan-2-yl-1H-pyrazol-5-yl)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-amino-3-(3-propan-2-yl-1H-pyrazol-5-yl)propanoate
PubChem CID59640765
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Namemethyl (2S)-2-amino-3-(3-propan-2-yl-1H-pyrazol-5-yl)propanoate
SMILESCOC(=O)[C@@H](N)Cc1cc(C(C)C)n[nH]1
InChIInChI=1S/C10H17N3O2/c1-6(2)9-5-7(12-13-9)4-8(11)10(14)15-3/h5-6,8H,4,11H2,1-3H3,(H,12,13)/t8-/m0/s1
InChIKeyZAJLAXHLDDCFAA-QMMMGPOBSA-N
XLogP0.58
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl (2S)-2-amino-3-(3-propan-2-yl-1H-pyrazol-5-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-3-(3-propan-2-yl-1H-pyrazol-5-yl)propanoate?
The IUPAC name of methyl (2S)-2-amino-3-(3-propan-2-yl-1H-pyrazol-5-yl)propanoate (CID 59640765) is methyl (2S)-2-amino-3-(3-propan-2-yl-1H-pyrazol-5-yl)propanoate.
What is the SMILES notation for methyl (2S)-2-amino-3-(3-propan-2-yl-1H-pyrazol-5-yl)propanoate?
The canonical SMILES for methyl (2S)-2-amino-3-(3-propan-2-yl-1H-pyrazol-5-yl)propanoate is COC(=O)[C@@H](N)Cc1cc(C(C)C)n[nH]1.
What is the InChIKey of methyl (2S)-2-amino-3-(3-propan-2-yl-1H-pyrazol-5-yl)propanoate?
The InChIKey is ZAJLAXHLDDCFAA-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-6(2)9-5-7(12-13-9)4-8(11)10(14)15-3/h5-6,8H,4,11H2,1-3H3,(H,12,13)/t8-/m0/s1.
What are the key properties of methyl (2S)-2-amino-3-(3-propan-2-yl-1H-pyrazol-5-yl)propanoate?
methyl (2S)-2-amino-3-(3-propan-2-yl-1H-pyrazol-5-yl)propanoate has a molecular weight of 211.26 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-3-(3-propan-2-yl-1H-pyrazol-5-yl)propanoate is sourced from PubChem (CID 59640765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).