2-[(3S)-3-aminopyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide

C10H21N3O2 — CID 81491720

IUPAC2-[(3S)-3-aminopyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CN1CC[C@H](N)C1
InChIInChI=1S/C10H21N3O2/c1-8(7-15-2)12-10(14)6-13-4-3-9(11)5-13/h8-9H,3-7,11H2,1-2H3,(H,12,14)/t8?,9-/m0/s1
InChIKeyTUQMVRHPGWNCEW-GKAPJAKFSA-N
MW215.30 g/mol
LogP-0.83
Rot. Bonds5

About 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide

2-[(3S)-3-aminopyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 81491720) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(3S)-3-aminopyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
PubChem CID81491720
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name2-[(3S)-3-aminopyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CN1CC[C@H](N)C1
InChIInChI=1S/C10H21N3O2/c1-8(7-15-2)12-10(14)6-13-4-3-9(11)5-13/h8-9H,3-7,11H2,1-2H3,(H,12,14)/t8?,9-/m0/s1
InChIKeyTUQMVRHPGWNCEW-GKAPJAKFSA-N
XLogP-0.83
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-aminoazetidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 63761326
2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 114802649
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 55261186
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 81490233
N-(1-methoxypropan-2-yl)-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]acetamide
CID 63853257
methyl 2-[[2-[(3R)-3-aminopyrrolidin-1-yl]acetyl]amino]-4-methylpentanoate
CID 115301996
N-[(2S)-1-methoxypropan-2-yl]-2-pyrrolidin-1-ylacetamide
CID 94784934
N-(1-methoxypropan-2-yl)-2-(3-methylpiperazin-1-yl)acetamide
CID 65448068
2-[(3S)-3-aminopyrrolidin-1-yl]-N-pentan-3-ylacetamide
CID 81492736
N-butan-2-yl-2-[4-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 134045413
2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 63336209
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 115301859

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide (CID 81491720) is 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)CN1CC[C@H](N)C1.
What is the InChIKey of 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is TUQMVRHPGWNCEW-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-8(7-15-2)12-10(14)6-13-4-3-9(11)5-13/h8-9H,3-7,11H2,1-2H3,(H,12,14)/t8?,9-/m0/s1.
What are the key properties of 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide?
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 215.30 g/mol, XLogP of -0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 81491720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).