ethane;2-(3-methylpyrrolidin-1-yl)acetic acid

C9H19NO2 — CID 143851762

IUPACethane;2-(3-methylpyrrolidin-1-yl)acetic acid
SMILESCC.CC1CCN(CC(=O)O)C1
InChIInChI=1S/C7H13NO2.C2H6/c1-6-2-3-8(4-6)5-7(9)10;1-2/h6H,2-5H2,1H3,(H,9,10);1-2H3
InChIKeyZVQFMCAVVIWPBA-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.44
Rot. Bonds2

About ethane;2-(3-methylpyrrolidin-1-yl)acetic acid

ethane;2-(3-methylpyrrolidin-1-yl)acetic acid (PubChem CID 143851762) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is ethane;2-(3-methylpyrrolidin-1-yl)acetic acid.

Molecular Properties

Compound Nameethane;2-(3-methylpyrrolidin-1-yl)acetic acid
PubChem CID143851762
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Nameethane;2-(3-methylpyrrolidin-1-yl)acetic acid
SMILESCC.CC1CCN(CC(=O)O)C1
InChIInChI=1S/C7H13NO2.C2H6/c1-6-2-3-8(4-6)5-7(9)10;1-2/h6H,2-5H2,1H3,(H,9,10);1-2H3
InChIKeyZVQFMCAVVIWPBA-UHFFFAOYSA-N
XLogP1.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylpiperidin-1-yl)acetic acid
CID 3153128
2-(3-methylpiperidin-1-yl)acetic acid;hydrochloride
CID 46735976
2-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]acetic acid
CID 129445651
2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]acetic acid
CID 129381021
1-(3-methylpyrrolidin-1-yl)but-3-en-2-one
CID 167082770
2-(6-methyl-1,4-oxazepan-4-yl)acetic acid
CID 131059180
acetic acid;3-methyl-1-propylpyrrolidine
CID 175874786
ethane;1-ethyl-3-methylpyrrolidine;3-methoxypropanoic acid
CID 169177238
2-(3-methylpyrrolidin-1-yl)ethanethioamide
CID 61224229
2-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylethanone
CID 61226175
2,2-dimethyl-3-(3-methylpyrrolidin-1-yl)propanoic acid
CID 62270133
2-[(3S)-3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]acetic acid
CID 66568090

Frequently Asked Questions

What is the IUPAC name of ethane;2-(3-methylpyrrolidin-1-yl)acetic acid?
The IUPAC name of ethane;2-(3-methylpyrrolidin-1-yl)acetic acid (CID 143851762) is ethane;2-(3-methylpyrrolidin-1-yl)acetic acid.
What is the SMILES notation for ethane;2-(3-methylpyrrolidin-1-yl)acetic acid?
The canonical SMILES for ethane;2-(3-methylpyrrolidin-1-yl)acetic acid is CC.CC1CCN(CC(=O)O)C1.
What is the InChIKey of ethane;2-(3-methylpyrrolidin-1-yl)acetic acid?
The InChIKey is ZVQFMCAVVIWPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.C2H6/c1-6-2-3-8(4-6)5-7(9)10;1-2/h6H,2-5H2,1H3,(H,9,10);1-2H3.
What are the key properties of ethane;2-(3-methylpyrrolidin-1-yl)acetic acid?
ethane;2-(3-methylpyrrolidin-1-yl)acetic acid has a molecular weight of 173.26 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(3-methylpyrrolidin-1-yl)acetic acid is sourced from PubChem (CID 143851762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).