methyl 2,2-dimethyl-3-(3-pyridin-2-ylpropanoylamino)propanoate

C14H20N2O3 — CID 75425844

IUPACmethyl 2,2-dimethyl-3-(3-pyridin-2-ylpropanoylamino)propanoate
SMILESCOC(=O)C(C)(C)CNC(=O)CCc1ccccn1
InChIInChI=1S/C14H20N2O3/c1-14(2,13(18)19-3)10-16-12(17)8-7-11-6-4-5-9-15-11/h4-6,9H,7-8,10H2,1-3H3,(H,16,17)
InChIKeyHWEDBRAOMFUIDC-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.33
Rot. Bonds6

About methyl 2,2-dimethyl-3-(3-pyridin-2-ylpropanoylamino)propanoate

methyl 2,2-dimethyl-3-(3-pyridin-2-ylpropanoylamino)propanoate (PubChem CID 75425844) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-(3-pyridin-2-ylpropanoylamino)propanoate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-(3-pyridin-2-ylpropanoylamino)propanoate
PubChem CID75425844
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 2,2-dimethyl-3-(3-pyridin-2-ylpropanoylamino)propanoate
SMILESCOC(=O)C(C)(C)CNC(=O)CCc1ccccn1
InChIInChI=1S/C14H20N2O3/c1-14(2,13(18)19-3)10-16-12(17)8-7-11-6-4-5-9-15-11/h4-6,9H,7-8,10H2,1-3H3,(H,16,17)
InChIKeyHWEDBRAOMFUIDC-UHFFFAOYSA-N
XLogP1.33
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpropanamide
CID 79039378
N-(2-amino-2-methylpropyl)-3-pyridin-2-ylpropanamide
CID 81483427
methyl 2,2-dimethyl-3-(2-pyridin-2-ylethoxy)propanoate
CID 79622873
3-methoxy-2-methyl-2-(3-pyridin-2-ylpropanoylamino)propanoic acid
CID 120613692
N-methyl-3-pyridin-2-ylpropanamide
CID 14093010
N-[2-(ethylamino)ethyl]-3-pyridin-2-ylpropanamide
CID 81479078
N-[(1-aminocyclobutyl)methyl]-3-pyridin-2-ylpropanamide
CID 113412006
N-[2-(propylamino)ethyl]-3-pyridin-2-ylpropanamide
CID 113269953
2-methoxy-2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 58929163
N-[2-(methylamino)propyl]-3-pyridin-2-ylpropanamide;dihydrochloride
CID 120832475
2,2-dimethyl-3-(2-pyridin-2-ylethoxy)propanehydrazide
CID 79628320
N-(4-hydroxypentyl)-3-pyridin-2-ylpropanamide
CID 107300042

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-3-(3-pyridin-2-ylpropanoylamino)propanoate?
The IUPAC name of methyl 2,2-dimethyl-3-(3-pyridin-2-ylpropanoylamino)propanoate (CID 75425844) is methyl 2,2-dimethyl-3-(3-pyridin-2-ylpropanoylamino)propanoate.
What is the SMILES notation for methyl 2,2-dimethyl-3-(3-pyridin-2-ylpropanoylamino)propanoate?
The canonical SMILES for methyl 2,2-dimethyl-3-(3-pyridin-2-ylpropanoylamino)propanoate is COC(=O)C(C)(C)CNC(=O)CCc1ccccn1.
What is the InChIKey of methyl 2,2-dimethyl-3-(3-pyridin-2-ylpropanoylamino)propanoate?
The InChIKey is HWEDBRAOMFUIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2,13(18)19-3)10-16-12(17)8-7-11-6-4-5-9-15-11/h4-6,9H,7-8,10H2,1-3H3,(H,16,17).
What are the key properties of methyl 2,2-dimethyl-3-(3-pyridin-2-ylpropanoylamino)propanoate?
methyl 2,2-dimethyl-3-(3-pyridin-2-ylpropanoylamino)propanoate has a molecular weight of 264.32 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-3-(3-pyridin-2-ylpropanoylamino)propanoate is sourced from PubChem (CID 75425844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).