ethyl (2S)-2-amino-3-(1H-pyrazol-5-yl)propanoate

C8H13N3O2 — CID 94905304

IUPACethyl (2S)-2-amino-3-(1H-pyrazol-5-yl)propanoate
SMILESCCOC(=O)[C@@H](N)Cc1ccn[nH]1
InChIInChI=1S/C8H13N3O2/c1-2-13-8(12)7(9)5-6-3-4-10-11-6/h3-4,7H,2,5,9H2,1H3,(H,10,11)/t7-/m0/s1
InChIKeyUBQISGZQHZIRIL-ZETCQYMHSA-N
MW183.21 g/mol
LogP-0.16
Rot. Bonds4

About ethyl (2S)-2-amino-3-(1H-pyrazol-5-yl)propanoate

ethyl (2S)-2-amino-3-(1H-pyrazol-5-yl)propanoate (PubChem CID 94905304) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is ethyl (2S)-2-amino-3-(1H-pyrazol-5-yl)propanoate.

Molecular Properties

Compound Nameethyl (2S)-2-amino-3-(1H-pyrazol-5-yl)propanoate
PubChem CID94905304
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Nameethyl (2S)-2-amino-3-(1H-pyrazol-5-yl)propanoate
SMILESCCOC(=O)[C@@H](N)Cc1ccn[nH]1
InChIInChI=1S/C8H13N3O2/c1-2-13-8(12)7(9)5-6-3-4-10-11-6/h3-4,7H,2,5,9H2,1H3,(H,10,11)/t7-/m0/s1
InChIKeyUBQISGZQHZIRIL-ZETCQYMHSA-N
XLogP-0.16
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-amino-3-(1H-pyrazol-5-yl)propanoate;dihydrochloride
CID 70074311
ethyl (2R)-2-amino-3-pyridin-2-ylpropanoate
CID 57496737
ethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate;dihydrochloride
CID 25021753
propyl 2-(1H-pyrazol-5-yl)acetate
CID 79139219
ethyl 2-(1H-pyrazol-5-yl)butanoate
CID 176656785
2-amino-N-(2-ethyl-4-hydroxyphenyl)-3-(1H-pyrazol-5-yl)propanamide
CID 167930349
ethyl (2S)-2-amino-3-(4-fluorophenyl)propanoate
CID 7010712
ethyl (2S)-2-amino-3-phenylpropanoate;hydron;chloride
CID 74764559
ethyl 3-[[2-(1H-pyrazol-5-yl)acetyl]amino]propanoate
CID 79040354
ethyl 2-amino-3-(1H-imidazol-2-yl)propanoate
CID 18604488
ethyl 2-amino-3-(5-tert-butyl-1H-pyrazol-4-yl)propanoate
CID 170886041
ethyl 2-(1H-pyrazol-5-ylmethylsulfamoyl)acetate
CID 61457429

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-amino-3-(1H-pyrazol-5-yl)propanoate?
The IUPAC name of ethyl (2S)-2-amino-3-(1H-pyrazol-5-yl)propanoate (CID 94905304) is ethyl (2S)-2-amino-3-(1H-pyrazol-5-yl)propanoate.
What is the SMILES notation for ethyl (2S)-2-amino-3-(1H-pyrazol-5-yl)propanoate?
The canonical SMILES for ethyl (2S)-2-amino-3-(1H-pyrazol-5-yl)propanoate is CCOC(=O)[C@@H](N)Cc1ccn[nH]1.
What is the InChIKey of ethyl (2S)-2-amino-3-(1H-pyrazol-5-yl)propanoate?
The InChIKey is UBQISGZQHZIRIL-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-2-13-8(12)7(9)5-6-3-4-10-11-6/h3-4,7H,2,5,9H2,1H3,(H,10,11)/t7-/m0/s1.
What are the key properties of ethyl (2S)-2-amino-3-(1H-pyrazol-5-yl)propanoate?
ethyl (2S)-2-amino-3-(1H-pyrazol-5-yl)propanoate has a molecular weight of 183.21 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-amino-3-(1H-pyrazol-5-yl)propanoate is sourced from PubChem (CID 94905304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).