acetic acid;2-(2-methylpropyl)pyrrolidine

C10H21NO2 — CID 178163364

IUPACacetic acid;2-(2-methylpropyl)pyrrolidine
SMILESCC(=O)O.CC(C)CC1CCCN1
InChIInChI=1S/C8H17N.C2H4O2/c1-7(2)6-8-4-3-5-9-8;1-2(3)4/h7-9H,3-6H2,1-2H3;1H3,(H,3,4)
InChIKeyDJPYEYJTRYZLLE-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.88
Rot. Bonds2

About acetic acid;2-(2-methylpropyl)pyrrolidine

acetic acid;2-(2-methylpropyl)pyrrolidine (PubChem CID 178163364) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is acetic acid;2-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Nameacetic acid;2-(2-methylpropyl)pyrrolidine
PubChem CID178163364
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Nameacetic acid;2-(2-methylpropyl)pyrrolidine
SMILESCC(=O)O.CC(C)CC1CCCN1
InChIInChI=1S/C8H17N.C2H4O2/c1-7(2)6-8-4-3-5-9-8;1-2(3)4/h7-9H,3-6H2,1-2H3;1H3,(H,3,4)
InChIKeyDJPYEYJTRYZLLE-UHFFFAOYSA-N
XLogP1.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2-methylpropyl)pyrrolidine;molecular hydrogen
CID 142042486
acetic acid;ethane;methanamine;methane;(2S)-4-methyl-1-pyrrolidin-2-ylpentan-2-ol;prop-1-ene
CID 142058993
ethane;1-pyrrolidin-2-ylpropan-2-ol
CID 145416338
3-methyl-1-pyrrolidin-2-ylbutan-2-ol
CID 105430823
(2R)-2-methyl-3-[(2S)-piperidin-2-yl]propanoic acid
CID 124547717
2-(1-pyrrolidin-2-ylpropan-2-ylamino)propanoic acid
CID 79540937
1-pyrrolidin-2-ylpropan-2-one
CID 45085262
acetic acid;but-1-ene;ethane;methane;1-pyrrolidin-2-ylpentan-2-ol
CID 142059097
2-amino-3-pyrrolidin-2-ylpropanoic acid
CID 67340597
2-(1-pyrrolidin-2-ylpropan-2-ylamino)acetamide
CID 79544229
(Z)-4-pyrrolidin-2-ylbut-2-enoic acid
CID 117266194
N-methyl-2-(1-pyrrolidin-2-ylpropan-2-ylamino)acetamide
CID 79541394

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-(2-methylpropyl)pyrrolidine?
The IUPAC name of acetic acid;2-(2-methylpropyl)pyrrolidine (CID 178163364) is acetic acid;2-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for acetic acid;2-(2-methylpropyl)pyrrolidine?
The canonical SMILES for acetic acid;2-(2-methylpropyl)pyrrolidine is CC(=O)O.CC(C)CC1CCCN1.
What is the InChIKey of acetic acid;2-(2-methylpropyl)pyrrolidine?
The InChIKey is DJPYEYJTRYZLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C2H4O2/c1-7(2)6-8-4-3-5-9-8;1-2(3)4/h7-9H,3-6H2,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;2-(2-methylpropyl)pyrrolidine?
acetic acid;2-(2-methylpropyl)pyrrolidine has a molecular weight of 187.28 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 178163364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).