2-amino-3-(1-methylpyrazol-4-yl)propanoic acid;hydrochloride

C7H12ClN3O2 — CID 156589324

IUPAC2-amino-3-(1-methylpyrazol-4-yl)propanoic acid;hydrochloride
SMILESCl.Cn1cc(CC(N)C(=O)O)cn1
InChIInChI=1S/C7H11N3O2.ClH/c1-10-4-5(3-9-10)2-6(8)7(11)12;/h3-4,6H,2,8H2,1H3,(H,11,12);1H
InChIKeyGRCXJNCGXRUWOO-UHFFFAOYSA-N
MW205.65 g/mol
LogP-0.20
Rot. Bonds3

About 2-amino-3-(1-methylpyrazol-4-yl)propanoic acid;hydrochloride

2-amino-3-(1-methylpyrazol-4-yl)propanoic acid;hydrochloride (PubChem CID 156589324) has the molecular formula C7H12ClN3O2 and a molecular weight of 205.65 g/mol. Its IUPAC name is 2-amino-3-(1-methylpyrazol-4-yl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-3-(1-methylpyrazol-4-yl)propanoic acid;hydrochloride
PubChem CID156589324
Molecular FormulaC7H12ClN3O2
Molecular Weight205.65 g/mol
Exact Mass205.06
IUPAC Name2-amino-3-(1-methylpyrazol-4-yl)propanoic acid;hydrochloride
SMILESCl.Cn1cc(CC(N)C(=O)O)cn1
InChIInChI=1S/C7H11N3O2.ClH/c1-10-4-5(3-9-10)2-6(8)7(11)12;/h3-4,6H,2,8H2,1H3,(H,11,12);1H
InChIKeyGRCXJNCGXRUWOO-UHFFFAOYSA-N
XLogP-0.20
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.65
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-3-(1-methylpyrazol-4-yl)propanoic acid;methane;methyl (2R)-2-amino-3-(1-methylpyrazol-4-yl)propanoate
CID 161483987
(2R)-2-(aminomethyl)-3-(1-methylpyrazol-4-yl)propanoic acid
CID 29061487
2-amino-3-[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]propanoic acid
CID 103014103
3-methyl-2-[(1-methylpyrazol-4-yl)methyl]butanoic acid
CID 62126220
2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119834031
2-amino-3-(1-prop-2-ynylpyrazol-4-yl)propanoic acid
CID 84772644
3-amino-4-[(1-methylpyrazol-4-yl)methylamino]-4-oxobutanoic acid
CID 64895759
2-amino-N-[(1-methylpyrazol-4-yl)methyl]butanamide
CID 61349106
2-cyclopentyl-3-(1-methylpyrazol-4-yl)propanoic acid
CID 112569172
(2S)-2-amino-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentanamide;hydrochloride
CID 119750202
1,1-difluoro-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 103516463
2-amino-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropanamide
CID 119863717

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1-methylpyrazol-4-yl)propanoic acid;hydrochloride?
The IUPAC name of 2-amino-3-(1-methylpyrazol-4-yl)propanoic acid;hydrochloride (CID 156589324) is 2-amino-3-(1-methylpyrazol-4-yl)propanoic acid;hydrochloride.
What is the SMILES notation for 2-amino-3-(1-methylpyrazol-4-yl)propanoic acid;hydrochloride?
The canonical SMILES for 2-amino-3-(1-methylpyrazol-4-yl)propanoic acid;hydrochloride is Cl.Cn1cc(CC(N)C(=O)O)cn1.
What is the InChIKey of 2-amino-3-(1-methylpyrazol-4-yl)propanoic acid;hydrochloride?
The InChIKey is GRCXJNCGXRUWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2.ClH/c1-10-4-5(3-9-10)2-6(8)7(11)12;/h3-4,6H,2,8H2,1H3,(H,11,12);1H.
What are the key properties of 2-amino-3-(1-methylpyrazol-4-yl)propanoic acid;hydrochloride?
2-amino-3-(1-methylpyrazol-4-yl)propanoic acid;hydrochloride has a molecular weight of 205.65 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1-methylpyrazol-4-yl)propanoic acid;hydrochloride is sourced from PubChem (CID 156589324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).