methyl (3R)-3-amino-3-(3-ethyl-1-methylpyrazol-4-yl)propanoate

C10H17N3O2 — CID 103955778

IUPACmethyl (3R)-3-amino-3-(3-ethyl-1-methylpyrazol-4-yl)propanoate
SMILESCCc1nn(C)cc1[C@H](N)CC(=O)OC
InChIInChI=1S/C10H17N3O2/c1-4-9-7(6-13(2)12-9)8(11)5-10(14)15-3/h6,8H,4-5,11H2,1-3H3/t8-/m1/s1
InChIKeyNPPOSBIQFRMRJV-MRVPVSSYSA-N
MW211.26 g/mol
LogP0.55
Rot. Bonds4

About methyl (3R)-3-amino-3-(3-ethyl-1-methylpyrazol-4-yl)propanoate

methyl (3R)-3-amino-3-(3-ethyl-1-methylpyrazol-4-yl)propanoate (PubChem CID 103955778) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is methyl (3R)-3-amino-3-(3-ethyl-1-methylpyrazol-4-yl)propanoate.

Molecular Properties

Compound Namemethyl (3R)-3-amino-3-(3-ethyl-1-methylpyrazol-4-yl)propanoate
PubChem CID103955778
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Namemethyl (3R)-3-amino-3-(3-ethyl-1-methylpyrazol-4-yl)propanoate
SMILESCCc1nn(C)cc1[C@H](N)CC(=O)OC
InChIInChI=1S/C10H17N3O2/c1-4-9-7(6-13(2)12-9)8(11)5-10(14)15-3/h6,8H,4-5,11H2,1-3H3/t8-/m1/s1
InChIKeyNPPOSBIQFRMRJV-MRVPVSSYSA-N
XLogP0.55
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 ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-amino-3-(3-ethyl-1-methylpyrazol-4-yl)propanoic acid
CID 96758684
methyl 3-(3-ethyl-1-methylpyrazol-4-yl)-3-(methylamino)propanoate
CID 112671468
ethyl (3R)-3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoate
CID 83089708
ethyl 3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoate
CID 83089787
methyl 3-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxy-2-methylpropanoate
CID 112671090
methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(propan-2-ylamino)acetate
CID 112669747
methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)acetate
CID 115990144
ethyl 3-(dimethylamino)-3-(1,3-dimethylpyrazol-4-yl)propanoate
CID 83093864
(3S)-3-acetamido-3-(3-ethyl-1-methylpyrazol-4-yl)propanoic acid
CID 103955785
2-amino-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol
CID 130166119
1-(3-ethyl-1-methylpyrazol-4-yl)-N,N-dimethylethane-1,2-diamine
CID 112669221
[1-(3-ethyl-1-methylpyrazol-4-yl)-2-methylprop-2-enyl]hydrazine
CID 102813156

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-amino-3-(3-ethyl-1-methylpyrazol-4-yl)propanoate?
The IUPAC name of methyl (3R)-3-amino-3-(3-ethyl-1-methylpyrazol-4-yl)propanoate (CID 103955778) is methyl (3R)-3-amino-3-(3-ethyl-1-methylpyrazol-4-yl)propanoate.
What is the SMILES notation for methyl (3R)-3-amino-3-(3-ethyl-1-methylpyrazol-4-yl)propanoate?
The canonical SMILES for methyl (3R)-3-amino-3-(3-ethyl-1-methylpyrazol-4-yl)propanoate is CCc1nn(C)cc1[C@H](N)CC(=O)OC.
What is the InChIKey of methyl (3R)-3-amino-3-(3-ethyl-1-methylpyrazol-4-yl)propanoate?
The InChIKey is NPPOSBIQFRMRJV-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-9-7(6-13(2)12-9)8(11)5-10(14)15-3/h6,8H,4-5,11H2,1-3H3/t8-/m1/s1.
What are the key properties of methyl (3R)-3-amino-3-(3-ethyl-1-methylpyrazol-4-yl)propanoate?
methyl (3R)-3-amino-3-(3-ethyl-1-methylpyrazol-4-yl)propanoate has a molecular weight of 211.26 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-amino-3-(3-ethyl-1-methylpyrazol-4-yl)propanoate is sourced from PubChem (CID 103955778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).