methyl (3R)-3-amino-3-(2-propylpyrazol-3-yl)propanoate

C10H17N3O2 — CID 104939468

IUPACmethyl (3R)-3-amino-3-(2-propylpyrazol-3-yl)propanoate
SMILESCCCn1nccc1[C@H](N)CC(=O)OC
InChIInChI=1S/C10H17N3O2/c1-3-6-13-9(4-5-12-13)8(11)7-10(14)15-2/h4-5,8H,3,6-7,11H2,1-2H3/t8-/m1/s1
InChIKeyYDHMPPZKMCFCCL-MRVPVSSYSA-N
MW211.26 g/mol
LogP0.86
Rot. Bonds5

About methyl (3R)-3-amino-3-(2-propylpyrazol-3-yl)propanoate

methyl (3R)-3-amino-3-(2-propylpyrazol-3-yl)propanoate (PubChem CID 104939468) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is methyl (3R)-3-amino-3-(2-propylpyrazol-3-yl)propanoate.

Molecular Properties

Compound Namemethyl (3R)-3-amino-3-(2-propylpyrazol-3-yl)propanoate
PubChem CID104939468
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Namemethyl (3R)-3-amino-3-(2-propylpyrazol-3-yl)propanoate
SMILESCCCn1nccc1[C@H](N)CC(=O)OC
InChIInChI=1S/C10H17N3O2/c1-3-6-13-9(4-5-12-13)8(11)7-10(14)15-2/h4-5,8H,3,6-7,11H2,1-2H3/t8-/m1/s1
InChIKeyYDHMPPZKMCFCCL-MRVPVSSYSA-N
XLogP0.86
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-amino-3-(2-ethylpyrazol-3-yl)propanoate
CID 114556106
2-methoxy-1-(2-propylpyrazol-3-yl)ethanamine
CID 63974690
1-(2-propylpyrazol-3-yl)hexan-1-amine
CID 115857677
methyl 4-amino-5-(2-propylpyrazol-3-yl)pentanoate
CID 114557561
(1S)-3,3,3-trifluoro-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 104941104
4,4,4-trifluoro-1-(2-propylpyrazol-3-yl)butan-1-amine
CID 79952578
[2-ethyl-2-methoxy-1-(2-propylpyrazol-3-yl)butyl]hydrazine
CID 105275317
3-formamido-3-(2-propylpyrazol-3-yl)propanoic acid
CID 114556130
2,2-dimethyl-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 63975935
2-amino-1-(2-propylpyrazol-3-yl)propane-1,3-diol
CID 114558108
2-amino-1-(2-propylpyrazol-3-yl)propan-1-one
CID 116551709
[3-methoxy-1-(2-propylpyrazol-3-yl)propyl]hydrazine
CID 105206275

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-amino-3-(2-propylpyrazol-3-yl)propanoate?
The IUPAC name of methyl (3R)-3-amino-3-(2-propylpyrazol-3-yl)propanoate (CID 104939468) is methyl (3R)-3-amino-3-(2-propylpyrazol-3-yl)propanoate.
What is the SMILES notation for methyl (3R)-3-amino-3-(2-propylpyrazol-3-yl)propanoate?
The canonical SMILES for methyl (3R)-3-amino-3-(2-propylpyrazol-3-yl)propanoate is CCCn1nccc1[C@H](N)CC(=O)OC.
What is the InChIKey of methyl (3R)-3-amino-3-(2-propylpyrazol-3-yl)propanoate?
The InChIKey is YDHMPPZKMCFCCL-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-6-13-9(4-5-12-13)8(11)7-10(14)15-2/h4-5,8H,3,6-7,11H2,1-2H3/t8-/m1/s1.
What are the key properties of methyl (3R)-3-amino-3-(2-propylpyrazol-3-yl)propanoate?
methyl (3R)-3-amino-3-(2-propylpyrazol-3-yl)propanoate has a molecular weight of 211.26 g/mol, XLogP of 0.86, 5 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-(2-propylpyrazol-3-yl)propanoate is sourced from PubChem (CID 104939468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).