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

C7H13Cl2N3O2 — CID 70074311

IUPACmethyl (2S)-2-amino-3-(1H-pyrazol-5-yl)propanoate;dihydrochloride
SMILESCOC(=O)[C@@H](N)Cc1ccn[nH]1.Cl.Cl
InChIInChI=1S/C7H11N3O2.2ClH/c1-12-7(11)6(8)4-5-2-3-9-10-5;;/h2-3,6H,4,8H2,1H3,(H,9,10);2*1H/t6-;;/m0../s1
InChIKeyKAKGRLQEIDHJGB-ILKKLZGPSA-N
MW242.11 g/mol
LogP0.30
Rot. Bonds3

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

methyl (2S)-2-amino-3-(1H-pyrazol-5-yl)propanoate;dihydrochloride (PubChem CID 70074311) has the molecular formula C7H13Cl2N3O2 and a molecular weight of 242.11 g/mol. Its IUPAC name is methyl (2S)-2-amino-3-(1H-pyrazol-5-yl)propanoate;dihydrochloride.

Molecular Properties

Compound Namemethyl (2S)-2-amino-3-(1H-pyrazol-5-yl)propanoate;dihydrochloride
PubChem CID70074311
Molecular FormulaC7H13Cl2N3O2
Molecular Weight242.11 g/mol
Exact Mass241.04
IUPAC Namemethyl (2S)-2-amino-3-(1H-pyrazol-5-yl)propanoate;dihydrochloride
SMILESCOC(=O)[C@@H](N)Cc1ccn[nH]1.Cl.Cl
InChIInChI=1S/C7H11N3O2.2ClH/c1-12-7(11)6(8)4-5-2-3-9-10-5;;/h2-3,6H,4,8H2,1H3,(H,9,10);2*1H/t6-;;/m0../s1
InChIKeyKAKGRLQEIDHJGB-ILKKLZGPSA-N
XLogP0.30
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.11
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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

Launch Full Analysis

Related Compounds

ethyl (2S)-2-amino-3-(1H-pyrazol-5-yl)propanoate
CID 94905304
methyl 2-(1H-pyrazol-5-yl)acetate
CID 50989154
methyl 2-amino-3-(5-methyl-1H-pyrazol-4-yl)propanoate;hydrochloride
CID 170884317
methyl (2S)-2-amino-3-(3-propan-2-yl-1H-pyrazol-5-yl)propanoate
CID 59640765
2-amino-N-(2-ethyl-4-hydroxyphenyl)-3-(1H-pyrazol-5-yl)propanamide
CID 167930349
1-methoxy-3-(1H-pyrazol-5-yl)propan-2-ol
CID 21265785
methyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 174427349
methyl (2R)-2-amino-3-(4-methylphenyl)propanoate;hydrochloride
CID 54763157
2-amino-N-methyl-3-(1H-pyrazol-5-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 166362835
2-amino-3-phenyl-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 61285504
2-amino-N-(1H-pyrazol-5-ylmethyl)butanediamide
CID 61285108
methyl (2S)-2-amino-3-(2-tert-butyl-1H-imidazol-5-yl)propanoate
CID 44597599

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-3-(1H-pyrazol-5-yl)propanoate;dihydrochloride?
The IUPAC name of methyl (2S)-2-amino-3-(1H-pyrazol-5-yl)propanoate;dihydrochloride (CID 70074311) is methyl (2S)-2-amino-3-(1H-pyrazol-5-yl)propanoate;dihydrochloride.
What is the SMILES notation for methyl (2S)-2-amino-3-(1H-pyrazol-5-yl)propanoate;dihydrochloride?
The canonical SMILES for methyl (2S)-2-amino-3-(1H-pyrazol-5-yl)propanoate;dihydrochloride is COC(=O)[C@@H](N)Cc1ccn[nH]1.Cl.Cl.
What is the InChIKey of methyl (2S)-2-amino-3-(1H-pyrazol-5-yl)propanoate;dihydrochloride?
The InChIKey is KAKGRLQEIDHJGB-ILKKLZGPSA-N. The full InChI is InChI=1S/C7H11N3O2.2ClH/c1-12-7(11)6(8)4-5-2-3-9-10-5;;/h2-3,6H,4,8H2,1H3,(H,9,10);2*1H/t6-;;/m0../s1.
What are the key properties of methyl (2S)-2-amino-3-(1H-pyrazol-5-yl)propanoate;dihydrochloride?
methyl (2S)-2-amino-3-(1H-pyrazol-5-yl)propanoate;dihydrochloride has a molecular weight of 242.11 g/mol, XLogP of 0.30, 3 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-(1H-pyrazol-5-yl)propanoate;dihydrochloride is sourced from PubChem (CID 70074311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).