ethyl 2-amino-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)amino]propanoate

C12H22N4O2 — CID 114281397

IUPACethyl 2-amino-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)amino]propanoate
SMILESCCOC(=O)C(N)CNc1cn(C)nc1C(C)C
InChIInChI=1S/C12H22N4O2/c1-5-18-12(17)9(13)6-14-10-7-16(4)15-11(10)8(2)3/h7-9,14H,5-6,13H2,1-4H3
InChIKeyDSRKPMBGHSSLOC-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.85
Rot. Bonds6

About ethyl 2-amino-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)amino]propanoate

ethyl 2-amino-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)amino]propanoate (PubChem CID 114281397) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is ethyl 2-amino-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)amino]propanoate
PubChem CID114281397
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Nameethyl 2-amino-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)amino]propanoate
SMILESCCOC(=O)C(N)CNc1cn(C)nc1C(C)C
InChIInChI=1S/C12H22N4O2/c1-5-18-12(17)9(13)6-14-10-7-16(4)15-11(10)8(2)3/h7-9,14H,5-6,13H2,1-4H3
InChIKeyDSRKPMBGHSSLOC-UHFFFAOYSA-N
XLogP0.85
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)hexanamide
CID 114263071
methyl N-(1-methyl-3-propan-2-ylpyrazol-4-yl)carbamate
CID 130477952
ethyl 2-amino-3-(1,3-dimethylpyrazol-4-yl)propanoate
CID 66518191
ethyl 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate
CID 104700571
(2R)-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)carbamoylamino]propanoic acid
CID 114262609
ethyl 2-amino-3-(4-chloro-1-methylpyrazol-3-yl)propanoate
CID 170884718
2-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)propane-1,2-diamine
CID 130500065
1-methyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazol-4-amine
CID 114094591
1-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-propan-2-ylpyrazol-4-amine
CID 114262678
ethyl (2S)-2-amino-3-(methylamino)propanoate
CID 59103878
(2S)-2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methylpentanamide
CID 103811522
2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]acetamide
CID 43754758

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)amino]propanoate?
The IUPAC name of ethyl 2-amino-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)amino]propanoate (CID 114281397) is ethyl 2-amino-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)amino]propanoate.
What is the SMILES notation for ethyl 2-amino-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)amino]propanoate?
The canonical SMILES for ethyl 2-amino-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)amino]propanoate is CCOC(=O)C(N)CNc1cn(C)nc1C(C)C.
What is the InChIKey of ethyl 2-amino-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)amino]propanoate?
The InChIKey is DSRKPMBGHSSLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-5-18-12(17)9(13)6-14-10-7-16(4)15-11(10)8(2)3/h7-9,14H,5-6,13H2,1-4H3.
What are the key properties of ethyl 2-amino-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)amino]propanoate?
ethyl 2-amino-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)amino]propanoate has a molecular weight of 254.33 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)amino]propanoate is sourced from PubChem (CID 114281397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).