2-(3-acetamidopyrrolidin-1-yl)acetic acid

C8H14N2O3 — CID 66567726

IUPAC2-(3-acetamidopyrrolidin-1-yl)acetic acid
SMILESCC(=O)NC1CCN(CC(=O)O)C1
InChIInChI=1S/C8H14N2O3/c1-6(11)9-7-2-3-10(4-7)5-8(12)13/h7H,2-5H2,1H3,(H,9,11)(H,12,13)
InChIKeyPAFLTNNOZYAEJL-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.72
Rot. Bonds3

About 2-(3-acetamidopyrrolidin-1-yl)acetic acid

2-(3-acetamidopyrrolidin-1-yl)acetic acid (PubChem CID 66567726) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-(3-acetamidopyrrolidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-acetamidopyrrolidin-1-yl)acetic acid
PubChem CID66567726
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name2-(3-acetamidopyrrolidin-1-yl)acetic acid
SMILESCC(=O)NC1CCN(CC(=O)O)C1
InChIInChI=1S/C8H14N2O3/c1-6(11)9-7-2-3-10(4-7)5-8(12)13/h7H,2-5H2,1H3,(H,9,11)(H,12,13)
InChIKeyPAFLTNNOZYAEJL-UHFFFAOYSA-N
XLogP-0.72
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-oxopropyl)pyrrolidin-3-yl]acetamide
CID 58937983
N-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]acetamide
CID 58877738
N-[1-(2-aminoethyl)pyrrolidin-3-yl]acetamide
CID 23450282
ethane;2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]acetic acid
CID 142042736
2-[4-(2-methylprop-2-enoylamino)piperidin-1-yl]acetic acid
CID 67045024
3-acetamidopyrrolidine-1-carboxylic acid
CID 22061271
2-[4-[(1-methylpyrrolidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid
CID 61465103
2-[4-(cyclopropylamino)piperidin-1-yl]acetic acid
CID 145176317
N-[1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidin-3-yl]acetamide
CID 103160184
N-[1-(3-hydrazinyl-2,2-dimethyl-3-oxopropyl)pyrrolidin-3-yl]acetamide
CID 113402653
N-(1-acetylpyrrolidin-3-yl)acetamide
CID 21285269
ethane;2-(3-methylpyrrolidin-1-yl)acetic acid
CID 143851762

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidopyrrolidin-1-yl)acetic acid?
The IUPAC name of 2-(3-acetamidopyrrolidin-1-yl)acetic acid (CID 66567726) is 2-(3-acetamidopyrrolidin-1-yl)acetic acid.
What is the SMILES notation for 2-(3-acetamidopyrrolidin-1-yl)acetic acid?
The canonical SMILES for 2-(3-acetamidopyrrolidin-1-yl)acetic acid is CC(=O)NC1CCN(CC(=O)O)C1.
What is the InChIKey of 2-(3-acetamidopyrrolidin-1-yl)acetic acid?
The InChIKey is PAFLTNNOZYAEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-6(11)9-7-2-3-10(4-7)5-8(12)13/h7H,2-5H2,1H3,(H,9,11)(H,12,13).
What are the key properties of 2-(3-acetamidopyrrolidin-1-yl)acetic acid?
2-(3-acetamidopyrrolidin-1-yl)acetic acid has a molecular weight of 186.21 g/mol, XLogP of -0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidopyrrolidin-1-yl)acetic acid is sourced from PubChem (CID 66567726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).