methyl 2-acetamido-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propanoate

C14H27N3O3 — CID 103243768

IUPACmethyl 2-acetamido-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propanoate
SMILESCOC(=O)C(CNCC1CCN(C(C)C)C1)NC(C)=O
InChIInChI=1S/C14H27N3O3/c1-10(2)17-6-5-12(9-17)7-15-8-13(14(19)20-4)16-11(3)18/h10,12-13,15H,5-9H2,1-4H3,(H,16,18)
InChIKeyDAYILCZCWRNICA-UHFFFAOYSA-N
MW285.39 g/mol
LogP-0.02
Rot. Bonds7

About methyl 2-acetamido-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propanoate

methyl 2-acetamido-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propanoate (PubChem CID 103243768) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is methyl 2-acetamido-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propanoate
PubChem CID103243768
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Namemethyl 2-acetamido-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propanoate
SMILESCOC(=O)C(CNCC1CCN(C(C)C)C1)NC(C)=O
InChIInChI=1S/C14H27N3O3/c1-10(2)17-6-5-12(9-17)7-15-8-13(14(19)20-4)16-11(3)18/h10,12-13,15H,5-9H2,1-4H3,(H,16,18)
InChIKeyDAYILCZCWRNICA-UHFFFAOYSA-N
XLogP-0.02
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propane-1,2-diamine
CID 146382593
N'-hydroxy-2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propanimidamide
CID 77032142
4-(2-amino-2-oxoethyl)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperidine-1-carboxamide
CID 95589080
1-(aminomethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide
CID 80588258
methyl 2-acetamido-3-(1-cyclopropylpropan-2-ylamino)propanoate
CID 103251173
methyl 2-acetamido-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanoate
CID 112626135
methyl 2-acetamido-3-[(2-ethyloxolan-3-yl)methylamino]propanoate
CID 114106525
methyl 2-methyl-3-[3-(methylaminomethyl)pyrrolidin-1-yl]butanoate
CID 79414420
2-methoxy-3-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]propanoic acid
CID 106110039
2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 80693739
methyl (2S)-2-acetamido-3-(4,4-difluorocyclohexyl)propanoate
CID 138628336
methyl 2-acetamido-3-(2,2-dimethylpropylamino)propanoate
CID 103242854

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propanoate?
The IUPAC name of methyl 2-acetamido-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propanoate (CID 103243768) is methyl 2-acetamido-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propanoate.
What is the SMILES notation for methyl 2-acetamido-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propanoate?
The canonical SMILES for methyl 2-acetamido-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propanoate is COC(=O)C(CNCC1CCN(C(C)C)C1)NC(C)=O.
What is the InChIKey of methyl 2-acetamido-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propanoate?
The InChIKey is DAYILCZCWRNICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-10(2)17-6-5-12(9-17)7-15-8-13(14(19)20-4)16-11(3)18/h10,12-13,15H,5-9H2,1-4H3,(H,16,18).
What are the key properties of methyl 2-acetamido-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propanoate?
methyl 2-acetamido-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propanoate has a molecular weight of 285.39 g/mol, XLogP of -0.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propanoate is sourced from PubChem (CID 103243768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).