methyl 2-(2-methylpropylamino)-2-(1-methylpyrazol-4-yl)acetate

C11H19N3O2 — CID 61002889

IUPACmethyl 2-(2-methylpropylamino)-2-(1-methylpyrazol-4-yl)acetate
SMILESCOC(=O)C(NCC(C)C)c1cnn(C)c1
InChIInChI=1S/C11H19N3O2/c1-8(2)5-12-10(11(15)16-4)9-6-13-14(3)7-9/h6-8,10,12H,5H2,1-4H3
InChIKeyVMANKUBQTDDDCH-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.88
Rot. Bonds5

About methyl 2-(2-methylpropylamino)-2-(1-methylpyrazol-4-yl)acetate

methyl 2-(2-methylpropylamino)-2-(1-methylpyrazol-4-yl)acetate (PubChem CID 61002889) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is methyl 2-(2-methylpropylamino)-2-(1-methylpyrazol-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-methylpropylamino)-2-(1-methylpyrazol-4-yl)acetate
PubChem CID61002889
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Namemethyl 2-(2-methylpropylamino)-2-(1-methylpyrazol-4-yl)acetate
SMILESCOC(=O)C(NCC(C)C)c1cnn(C)c1
InChIInChI=1S/C11H19N3O2/c1-8(2)5-12-10(11(15)16-4)9-6-13-14(3)7-9/h6-8,10,12H,5H2,1-4H3
InChIKeyVMANKUBQTDDDCH-UHFFFAOYSA-N
XLogP0.88
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(2-methylpropylamino)-2-(1-propan-2-ylpyrazol-4-yl)acetate
CID 114075698
methyl 2-(1-methylpyrazol-4-yl)butanoate
CID 62395222
methyl 2-[1-(1-methylpyrazol-4-yl)ethylamino]-2-phenylacetate
CID 62108797
2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115289196
(2S)-2-(ethylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 93280089
methyl 4,4-difluoro-2-(1-methylpyrazol-4-yl)butanoate
CID 169116050
2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 110470530
2-[[(2R)-2-aminopropanoyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288761
propan-2-yl 2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 115288979
2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115289346
2-[(2-methoxy-2-oxoethyl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 113279548
2-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288800

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methylpropylamino)-2-(1-methylpyrazol-4-yl)acetate?
The IUPAC name of methyl 2-(2-methylpropylamino)-2-(1-methylpyrazol-4-yl)acetate (CID 61002889) is methyl 2-(2-methylpropylamino)-2-(1-methylpyrazol-4-yl)acetate.
What is the SMILES notation for methyl 2-(2-methylpropylamino)-2-(1-methylpyrazol-4-yl)acetate?
The canonical SMILES for methyl 2-(2-methylpropylamino)-2-(1-methylpyrazol-4-yl)acetate is COC(=O)C(NCC(C)C)c1cnn(C)c1.
What is the InChIKey of methyl 2-(2-methylpropylamino)-2-(1-methylpyrazol-4-yl)acetate?
The InChIKey is VMANKUBQTDDDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(2)5-12-10(11(15)16-4)9-6-13-14(3)7-9/h6-8,10,12H,5H2,1-4H3.
What are the key properties of methyl 2-(2-methylpropylamino)-2-(1-methylpyrazol-4-yl)acetate?
methyl 2-(2-methylpropylamino)-2-(1-methylpyrazol-4-yl)acetate has a molecular weight of 225.29 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methylpropylamino)-2-(1-methylpyrazol-4-yl)acetate is sourced from PubChem (CID 61002889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).