propan-2-yl 3-acetamidopyrrolidine-1-carboxylate

C10H18N2O3 — CID 77434024

IUPACpropan-2-yl 3-acetamidopyrrolidine-1-carboxylate
SMILESCC(=O)NC1CCN(C(=O)OC(C)C)C1
InChIInChI=1S/C10H18N2O3/c1-7(2)15-10(14)12-5-4-9(6-12)11-8(3)13/h7,9H,4-6H2,1-3H3,(H,11,13)
InChIKeyXXRMNBMEBXVALI-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.74
Rot. Bonds2

About propan-2-yl 3-acetamidopyrrolidine-1-carboxylate

propan-2-yl 3-acetamidopyrrolidine-1-carboxylate (PubChem CID 77434024) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is propan-2-yl 3-acetamidopyrrolidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 3-acetamidopyrrolidine-1-carboxylate
PubChem CID77434024
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Namepropan-2-yl 3-acetamidopyrrolidine-1-carboxylate
SMILESCC(=O)NC1CCN(C(=O)OC(C)C)C1
InChIInChI=1S/C10H18N2O3/c1-7(2)15-10(14)12-5-4-9(6-12)11-8(3)13/h7,9H,4-6H2,1-3H3,(H,11,13)
InChIKeyXXRMNBMEBXVALI-UHFFFAOYSA-N
XLogP0.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 3-(methoxycarbonylamino)pyrrolidine-1-carboxylate
CID 116657633
propan-2-yl 3-(methylamino)pyrrolidine-1-carboxylate
CID 115300213
N-(1-acetylpyrrolidin-3-yl)acetamide
CID 21285269
3-acetamidopyrrolidine-1-carboxylic acid
CID 22061271
propan-2-yl 9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxylate
CID 116656597
N-[1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]acetamide
CID 66567654
propan-2-yl 4-(pentan-2-ylamino)piperidine-1-carboxylate
CID 142975132
propan-2-yl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate
CID 124559521
N-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]acetamide
CID 77144242
propan-2-yl (3S)-7-[4-[(3R)-3-acetamidopyrrolidine-1-carbonyl]cyclohexyl]-4-acetyl-3-methyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline-1-carboxylate
CID 140684319
N-(1-acetylpiperidin-4-yl)acetamide
CID 23402928
propan-2-yl 4-propan-2-ylazepane-1-carboxylate
CID 116656252

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-acetamidopyrrolidine-1-carboxylate?
The IUPAC name of propan-2-yl 3-acetamidopyrrolidine-1-carboxylate (CID 77434024) is propan-2-yl 3-acetamidopyrrolidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 3-acetamidopyrrolidine-1-carboxylate?
The canonical SMILES for propan-2-yl 3-acetamidopyrrolidine-1-carboxylate is CC(=O)NC1CCN(C(=O)OC(C)C)C1.
What is the InChIKey of propan-2-yl 3-acetamidopyrrolidine-1-carboxylate?
The InChIKey is XXRMNBMEBXVALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7(2)15-10(14)12-5-4-9(6-12)11-8(3)13/h7,9H,4-6H2,1-3H3,(H,11,13).
What are the key properties of propan-2-yl 3-acetamidopyrrolidine-1-carboxylate?
propan-2-yl 3-acetamidopyrrolidine-1-carboxylate has a molecular weight of 214.26 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-acetamidopyrrolidine-1-carboxylate is sourced from PubChem (CID 77434024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).