ethyl (3R)-3-amino-3-(1,5-dimethylpyrazol-4-yl)propanoate

C10H17N3O2 — CID 79584174

IUPACethyl (3R)-3-amino-3-(1,5-dimethylpyrazol-4-yl)propanoate
SMILESCCOC(=O)C[C@@H](N)c1cnn(C)c1C
InChIInChI=1S/C10H17N3O2/c1-4-15-10(14)5-9(11)8-6-12-13(3)7(8)2/h6,9H,4-5,11H2,1-3H3/t9-/m1/s1
InChIKeyQIIKAWOJILUOBX-SECBINFHSA-N
MW211.26 g/mol
LogP0.68
Rot. Bonds4

About ethyl (3R)-3-amino-3-(1,5-dimethylpyrazol-4-yl)propanoate

ethyl (3R)-3-amino-3-(1,5-dimethylpyrazol-4-yl)propanoate (PubChem CID 79584174) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is ethyl (3R)-3-amino-3-(1,5-dimethylpyrazol-4-yl)propanoate.

Molecular Properties

Compound Nameethyl (3R)-3-amino-3-(1,5-dimethylpyrazol-4-yl)propanoate
PubChem CID79584174
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Nameethyl (3R)-3-amino-3-(1,5-dimethylpyrazol-4-yl)propanoate
SMILESCCOC(=O)C[C@@H](N)c1cnn(C)c1C
InChIInChI=1S/C10H17N3O2/c1-4-15-10(14)5-9(11)8-6-12-13(3)7(8)2/h6,9H,4-5,11H2,1-3H3/t9-/m1/s1
InChIKeyQIIKAWOJILUOBX-SECBINFHSA-N
XLogP0.68
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-amino-3-(1,5-dimethylpyrazol-4-yl)propanoic acid
CID 79583983
ethyl 3-(1,5-dimethylpyrazol-4-yl)-3-(ethylamino)propanoate
CID 79595467
ethyl 3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoate
CID 83089787
ethyl (3R)-3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoate
CID 83089708
1-(1,5-dimethylpyrazol-4-yl)heptan-1-amine
CID 105126212
1-(1,5-dimethylpyrazol-4-yl)but-3-en-1-amine
CID 105108352
3-(dimethylamino)-3-(1,5-dimethylpyrazol-4-yl)propanoic acid
CID 79595015
4-amino-3-(1,5-dimethylpyrazol-4-yl)butanoic acid
CID 79595352
methyl 3-(1,5-dimethylpyrazol-4-yl)-3-(propylamino)propanoate
CID 79595786
2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylpentanamide
CID 43696292
1-(1,5-dimethylpyrazol-4-yl)-4,4,4-trifluorobutan-1-amine
CID 105156405
1-(1,5-dimethylpyrazol-4-yl)pent-3-yn-1-amine
CID 105112423

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-amino-3-(1,5-dimethylpyrazol-4-yl)propanoate?
The IUPAC name of ethyl (3R)-3-amino-3-(1,5-dimethylpyrazol-4-yl)propanoate (CID 79584174) is ethyl (3R)-3-amino-3-(1,5-dimethylpyrazol-4-yl)propanoate.
What is the SMILES notation for ethyl (3R)-3-amino-3-(1,5-dimethylpyrazol-4-yl)propanoate?
The canonical SMILES for ethyl (3R)-3-amino-3-(1,5-dimethylpyrazol-4-yl)propanoate is CCOC(=O)C[C@@H](N)c1cnn(C)c1C.
What is the InChIKey of ethyl (3R)-3-amino-3-(1,5-dimethylpyrazol-4-yl)propanoate?
The InChIKey is QIIKAWOJILUOBX-SECBINFHSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-15-10(14)5-9(11)8-6-12-13(3)7(8)2/h6,9H,4-5,11H2,1-3H3/t9-/m1/s1.
What are the key properties of ethyl (3R)-3-amino-3-(1,5-dimethylpyrazol-4-yl)propanoate?
ethyl (3R)-3-amino-3-(1,5-dimethylpyrazol-4-yl)propanoate has a molecular weight of 211.26 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-amino-3-(1,5-dimethylpyrazol-4-yl)propanoate is sourced from PubChem (CID 79584174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).