[2-[methyl-[(3R)-pyrrolidin-3-yl]amino]-3-pyridinyl] 2-methylpropanoate

C14H21N3O2 — CID 174664451

IUPAC[2-[methyl-[(3R)-pyrrolidin-3-yl]amino]-3-pyridinyl] 2-methylpropanoate
SMILESCC(C)C(=O)Oc1cccnc1N(C)[C@@H]1CCNC1
InChIInChI=1S/C14H21N3O2/c1-10(2)14(18)19-12-5-4-7-16-13(12)17(3)11-6-8-15-9-11/h4-5,7,10-11,15H,6,8-9H2,1-3H3/t11-/m1/s1
InChIKeyPXMXZTAONUWCCC-LLVKDONJSA-N
MW263.34 g/mol
LogP1.44
Rot. Bonds4

About [2-[methyl-[(3R)-pyrrolidin-3-yl]amino]-3-pyridinyl] 2-methylpropanoate

[2-[methyl-[(3R)-pyrrolidin-3-yl]amino]-3-pyridinyl] 2-methylpropanoate (PubChem CID 174664451) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is [2-[methyl-[(3R)-pyrrolidin-3-yl]amino]-3-pyridinyl] 2-methylpropanoate.

Molecular Properties

Compound Name[2-[methyl-[(3R)-pyrrolidin-3-yl]amino]-3-pyridinyl] 2-methylpropanoate
PubChem CID174664451
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name[2-[methyl-[(3R)-pyrrolidin-3-yl]amino]-3-pyridinyl] 2-methylpropanoate
SMILESCC(C)C(=O)Oc1cccnc1N(C)[C@@H]1CCNC1
InChIInChI=1S/C14H21N3O2/c1-10(2)14(18)19-12-5-4-7-16-13(12)17(3)11-6-8-15-9-11/h4-5,7,10-11,15H,6,8-9H2,1-3H3/t11-/m1/s1
InChIKeyPXMXZTAONUWCCC-LLVKDONJSA-N
XLogP1.44
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[methyl-[(3R)-pyrrolidin-3-yl]amino]-3-pyridinyl] 2-methylpropanoate?
The IUPAC name of [2-[methyl-[(3R)-pyrrolidin-3-yl]amino]-3-pyridinyl] 2-methylpropanoate (CID 174664451) is [2-[methyl-[(3R)-pyrrolidin-3-yl]amino]-3-pyridinyl] 2-methylpropanoate.
What is the SMILES notation for [2-[methyl-[(3R)-pyrrolidin-3-yl]amino]-3-pyridinyl] 2-methylpropanoate?
The canonical SMILES for [2-[methyl-[(3R)-pyrrolidin-3-yl]amino]-3-pyridinyl] 2-methylpropanoate is CC(C)C(=O)Oc1cccnc1N(C)[C@@H]1CCNC1.
What is the InChIKey of [2-[methyl-[(3R)-pyrrolidin-3-yl]amino]-3-pyridinyl] 2-methylpropanoate?
The InChIKey is PXMXZTAONUWCCC-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10(2)14(18)19-12-5-4-7-16-13(12)17(3)11-6-8-15-9-11/h4-5,7,10-11,15H,6,8-9H2,1-3H3/t11-/m1/s1.
What are the key properties of [2-[methyl-[(3R)-pyrrolidin-3-yl]amino]-3-pyridinyl] 2-methylpropanoate?
[2-[methyl-[(3R)-pyrrolidin-3-yl]amino]-3-pyridinyl] 2-methylpropanoate has a molecular weight of 263.34 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl-[(3R)-pyrrolidin-3-yl]amino]-3-pyridinyl] 2-methylpropanoate is sourced from PubChem (CID 174664451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).