methyl 2-amino-3-(5-methyl-1H-pyrazol-4-yl)propanoate;hydrochloride

C8H14ClN3O2 — CID 170884317

IUPACmethyl 2-amino-3-(5-methyl-1H-pyrazol-4-yl)propanoate;hydrochloride
SMILESCOC(=O)C(N)Cc1cn[nH]c1C.Cl
InChIInChI=1S/C8H13N3O2.ClH/c1-5-6(4-10-11-5)3-7(9)8(12)13-2;/h4,7H,3,9H2,1-2H3,(H,10,11);1H
InChIKeyYOFWTVMGNFRIGQ-UHFFFAOYSA-N
MW219.67 g/mol
LogP0.18
Rot. Bonds3

About methyl 2-amino-3-(5-methyl-1H-pyrazol-4-yl)propanoate;hydrochloride

methyl 2-amino-3-(5-methyl-1H-pyrazol-4-yl)propanoate;hydrochloride (PubChem CID 170884317) has the molecular formula C8H14ClN3O2 and a molecular weight of 219.67 g/mol. Its IUPAC name is methyl 2-amino-3-(5-methyl-1H-pyrazol-4-yl)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-amino-3-(5-methyl-1H-pyrazol-4-yl)propanoate;hydrochloride
PubChem CID170884317
Molecular FormulaC8H14ClN3O2
Molecular Weight219.67 g/mol
Exact Mass219.08
IUPAC Namemethyl 2-amino-3-(5-methyl-1H-pyrazol-4-yl)propanoate;hydrochloride
SMILESCOC(=O)C(N)Cc1cn[nH]c1C.Cl
InChIInChI=1S/C8H13N3O2.ClH/c1-5-6(4-10-11-5)3-7(9)8(12)13-2;/h4,7H,3,9H2,1-2H3,(H,10,11);1H
InChIKeyYOFWTVMGNFRIGQ-UHFFFAOYSA-N
XLogP0.18
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(5-methyl-1H-pyrazol-4-yl)propanoic acid
CID 62961134
methyl (2S)-2-amino-3-(1H-pyrazol-5-yl)propanoate;dihydrochloride
CID 70074311
3-amino-2-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 106112236
methyl (2R)-2-amino-3-(3-methyl-4-pyridinyl)propanoate
CID 55277902
ethyl 2-amino-3-(5-tert-butyl-1H-pyrazol-4-yl)propanoate
CID 170886041
2-amino-4-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butanamide
CID 55080724
methyl 2-amino-3-(7-ethyl-1H-indazol-5-yl)propanoate
CID 58864508
(2R)-2-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide
CID 79013070
methyl 2,3-dihydroxy-3-(5-methyl-1H-pyrazol-4-yl)propanoate
CID 171863485
methyl 2-amino-3-(7-chloro-1H-indazol-5-yl)propanoate
CID 58864314
3-amino-4-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]-4-oxobutanoic acid
CID 64894782
methyl 2-amino-3-(2,4,5-trihydroxyphenyl)propanoate
CID 170883293

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(5-methyl-1H-pyrazol-4-yl)propanoate;hydrochloride?
The IUPAC name of methyl 2-amino-3-(5-methyl-1H-pyrazol-4-yl)propanoate;hydrochloride (CID 170884317) is methyl 2-amino-3-(5-methyl-1H-pyrazol-4-yl)propanoate;hydrochloride.
What is the SMILES notation for methyl 2-amino-3-(5-methyl-1H-pyrazol-4-yl)propanoate;hydrochloride?
The canonical SMILES for methyl 2-amino-3-(5-methyl-1H-pyrazol-4-yl)propanoate;hydrochloride is COC(=O)C(N)Cc1cn[nH]c1C.Cl.
What is the InChIKey of methyl 2-amino-3-(5-methyl-1H-pyrazol-4-yl)propanoate;hydrochloride?
The InChIKey is YOFWTVMGNFRIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2.ClH/c1-5-6(4-10-11-5)3-7(9)8(12)13-2;/h4,7H,3,9H2,1-2H3,(H,10,11);1H.
What are the key properties of methyl 2-amino-3-(5-methyl-1H-pyrazol-4-yl)propanoate;hydrochloride?
methyl 2-amino-3-(5-methyl-1H-pyrazol-4-yl)propanoate;hydrochloride has a molecular weight of 219.67 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(5-methyl-1H-pyrazol-4-yl)propanoate;hydrochloride is sourced from PubChem (CID 170884317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).