ethyl 2-[4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride

C15H27ClN4O3 — CID 119822675

IUPACethyl 2-[4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride
SMILESCCOC(=O)C(C)(C)n1cc(NC(=O)[C@@H](N)C(C)(C)C)cn1.Cl
InChIInChI=1S/C15H26N4O3.ClH/c1-7-22-13(21)15(5,6)19-9-10(8-17-19)18-12(20)11(16)14(2,3)4;/h8-9,11H,7,16H2,1-6H3,(H,18,20);1H/t11-;/m1./s1
InChIKeyDRNILHBDAQILEW-RFVHGSKJSA-N
MW346.86 g/mol
LogP1.91
Rot. Bonds5

About ethyl 2-[4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride

ethyl 2-[4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride (PubChem CID 119822675) has the molecular formula C15H27ClN4O3 and a molecular weight of 346.86 g/mol. Its IUPAC name is ethyl 2-[4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-[4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride
PubChem CID119822675
Molecular FormulaC15H27ClN4O3
Molecular Weight346.86 g/mol
Exact Mass346.18
IUPAC Nameethyl 2-[4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride
SMILESCCOC(=O)C(C)(C)n1cc(NC(=O)[C@@H](N)C(C)(C)C)cn1.Cl
InChIInChI=1S/C15H26N4O3.ClH/c1-7-22-13(21)15(5,6)19-9-10(8-17-19)18-12(20)11(16)14(2,3)4;/h8-9,11H,7,16H2,1-6H3,(H,18,20);1H/t11-;/m1./s1
InChIKeyDRNILHBDAQILEW-RFVHGSKJSA-N
XLogP1.91
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride with MolForge

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Related Compounds

ethyl 2-[4-[[(2S)-2-amino-3-methylbutanoyl]amino]pyrazol-1-yl]-2-methylpropanoate
CID 119345899
ethyl 2-[4-[(1-aminocyclohexanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride
CID 119345896
2-[4-[(2-amino-3,3-dimethylbutanoyl)amino]pyrazol-1-yl]acetic acid
CID 76897580
ethyl 2-[4-[(3-aminobenzoyl)amino]pyrazol-1-yl]-2-methylpropanoate
CID 119822684
ethyl 2-[4-[(5-amino-2-methylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoate
CID 120639197
ethyl 2-[4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride
CID 120639200
2-amino-N-(1-tert-butylpyrazol-4-yl)propanamide
CID 119307372
ethyl 2-[4-[[(4R)-3-acetyl-1,3-thiazolidine-4-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoate
CID 97232682
(2S)-2-amino-3,3-dimethyl-N-(1-phenylpyrazol-4-yl)butanamide
CID 119753020
2-[4-(2,3-dimethylpentanoylamino)pyrazol-1-yl]-2-methylpropanoic acid
CID 120697322
(2S)-2-amino-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]-3,3-dimethylbutanamide
CID 119800898
(2R)-2-amino-N-(6-ethoxy-3-pyridinyl)-3,3-dimethylbutanamide
CID 113353541

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride?
The IUPAC name of ethyl 2-[4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride (CID 119822675) is ethyl 2-[4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride.
What is the SMILES notation for ethyl 2-[4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride?
The canonical SMILES for ethyl 2-[4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride is CCOC(=O)C(C)(C)n1cc(NC(=O)[C@@H](N)C(C)(C)C)cn1.Cl.
What is the InChIKey of ethyl 2-[4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride?
The InChIKey is DRNILHBDAQILEW-RFVHGSKJSA-N. The full InChI is InChI=1S/C15H26N4O3.ClH/c1-7-22-13(21)15(5,6)19-9-10(8-17-19)18-12(20)11(16)14(2,3)4;/h8-9,11H,7,16H2,1-6H3,(H,18,20);1H/t11-;/m1./s1.
What are the key properties of ethyl 2-[4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride?
ethyl 2-[4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride has a molecular weight of 346.86 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride is sourced from PubChem (CID 119822675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).