ethyl 2-[4-[[(2S)-2-amino-3-methylbutanoyl]amino]pyrazol-1-yl]-2-methylpropanoate

C14H24N4O3 — CID 119345899

IUPACethyl 2-[4-[[(2S)-2-amino-3-methylbutanoyl]amino]pyrazol-1-yl]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)n1cc(NC(=O)[C@@H](N)C(C)C)cn1
InChIInChI=1S/C14H24N4O3/c1-6-21-13(20)14(4,5)18-8-10(7-16-18)17-12(19)11(15)9(2)3/h7-9,11H,6,15H2,1-5H3,(H,17,19)/t11-/m0/s1
InChIKeyYMRCYLPYDCVUKW-NSHDSACASA-N
MW296.37 g/mol
LogP1.10
Rot. Bonds6

About ethyl 2-[4-[[(2S)-2-amino-3-methylbutanoyl]amino]pyrazol-1-yl]-2-methylpropanoate

ethyl 2-[4-[[(2S)-2-amino-3-methylbutanoyl]amino]pyrazol-1-yl]-2-methylpropanoate (PubChem CID 119345899) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is ethyl 2-[4-[[(2S)-2-amino-3-methylbutanoyl]amino]pyrazol-1-yl]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-[4-[[(2S)-2-amino-3-methylbutanoyl]amino]pyrazol-1-yl]-2-methylpropanoate
PubChem CID119345899
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Nameethyl 2-[4-[[(2S)-2-amino-3-methylbutanoyl]amino]pyrazol-1-yl]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)n1cc(NC(=O)[C@@H](N)C(C)C)cn1
InChIInChI=1S/C14H24N4O3/c1-6-21-13(20)14(4,5)18-8-10(7-16-18)17-12(19)11(15)9(2)3/h7-9,11H,6,15H2,1-5H3,(H,17,19)/t11-/m0/s1
InChIKeyYMRCYLPYDCVUKW-NSHDSACASA-N
XLogP1.10
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[4-[[(2S)-2-amino-3-methylbutanoyl]amino]pyrazol-1-yl]-2-methylpropanoate with MolForge

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Related Compounds

ethyl 2-[4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride
CID 119822675
ethyl 2-[4-[(1-aminocyclohexanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride
CID 119345896
2-amino-N-(1-tert-butylpyrazol-4-yl)propanamide
CID 119307372
ethyl 2-[4-[(5-amino-2-methylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoate
CID 120639197
ethyl 2-[4-[(3-aminobenzoyl)amino]pyrazol-1-yl]-2-methylpropanoate
CID 119822684
2-[4-(2,3-dimethylpentanoylamino)pyrazol-1-yl]-2-methylpropanoic acid
CID 120697322
(2S)-2-amino-N-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]-3-methylbutanamide
CID 82961515
2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylbutanamide;hydrochloride
CID 119292257
ethyl 2-[4-[[(4R)-3-acetyl-1,3-thiazolidine-4-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoate
CID 97232682
ethyl 2-[4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride
CID 120639200
(2S)-2-amino-N-(1-ethylpyrazol-4-yl)-3-methylpentanamide
CID 61172285
ethyl 4-[[(2S)-2-amino-3-methylbutanoyl]amino]-1-methylpyrrole-2-carboxylate
CID 119342742

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[[(2S)-2-amino-3-methylbutanoyl]amino]pyrazol-1-yl]-2-methylpropanoate?
The IUPAC name of ethyl 2-[4-[[(2S)-2-amino-3-methylbutanoyl]amino]pyrazol-1-yl]-2-methylpropanoate (CID 119345899) is ethyl 2-[4-[[(2S)-2-amino-3-methylbutanoyl]amino]pyrazol-1-yl]-2-methylpropanoate.
What is the SMILES notation for ethyl 2-[4-[[(2S)-2-amino-3-methylbutanoyl]amino]pyrazol-1-yl]-2-methylpropanoate?
The canonical SMILES for ethyl 2-[4-[[(2S)-2-amino-3-methylbutanoyl]amino]pyrazol-1-yl]-2-methylpropanoate is CCOC(=O)C(C)(C)n1cc(NC(=O)[C@@H](N)C(C)C)cn1.
What is the InChIKey of ethyl 2-[4-[[(2S)-2-amino-3-methylbutanoyl]amino]pyrazol-1-yl]-2-methylpropanoate?
The InChIKey is YMRCYLPYDCVUKW-NSHDSACASA-N. The full InChI is InChI=1S/C14H24N4O3/c1-6-21-13(20)14(4,5)18-8-10(7-16-18)17-12(19)11(15)9(2)3/h7-9,11H,6,15H2,1-5H3,(H,17,19)/t11-/m0/s1.
What are the key properties of ethyl 2-[4-[[(2S)-2-amino-3-methylbutanoyl]amino]pyrazol-1-yl]-2-methylpropanoate?
ethyl 2-[4-[[(2S)-2-amino-3-methylbutanoyl]amino]pyrazol-1-yl]-2-methylpropanoate has a molecular weight of 296.37 g/mol, XLogP of 1.10, 6 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-methylbutanoyl]amino]pyrazol-1-yl]-2-methylpropanoate is sourced from PubChem (CID 119345899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).