2-cyclopropyl-3-pyrrolidin-1-ylpropanoic acid

C10H17NO2 — CID 117245478

IUPAC2-cyclopropyl-3-pyrrolidin-1-ylpropanoic acid
SMILESO=C(O)C(CN1CCCC1)C1CC1
InChIInChI=1S/C10H17NO2/c12-10(13)9(8-3-4-8)7-11-5-1-2-6-11/h8-9H,1-7H2,(H,12,13)
InChIKeyGCZNUXRZJBIMGV-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.19
Rot. Bonds4

About 2-cyclopropyl-3-pyrrolidin-1-ylpropanoic acid

2-cyclopropyl-3-pyrrolidin-1-ylpropanoic acid (PubChem CID 117245478) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-cyclopropyl-3-pyrrolidin-1-ylpropanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-pyrrolidin-1-ylpropanoic acid
PubChem CID117245478
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-cyclopropyl-3-pyrrolidin-1-ylpropanoic acid
SMILESO=C(O)C(CN1CCCC1)C1CC1
InChIInChI=1S/C10H17NO2/c12-10(13)9(8-3-4-8)7-11-5-1-2-6-11/h8-9H,1-7H2,(H,12,13)
InChIKeyGCZNUXRZJBIMGV-UHFFFAOYSA-N
XLogP1.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(azepan-1-yl)-2-piperidin-4-ylpropanoic acid
CID 117239592
3-(azepan-1-yl)-2-(1-methylpiperidin-4-yl)propanoic acid
CID 117239593
3-(azepan-1-yl)-2-(thiolan-3-yl)propanoic acid
CID 117238165
3-piperidin-1-yl-2-pyrrolidin-3-ylpropanoic acid
CID 117238153
3-(azocan-1-yl)-2-hydroxypropanoic acid
CID 130593606
3-cyclobutyl-2-cyclopropylpropanoic acid
CID 115013430
(2S)-2-methyl-3-pyrrolidin-1-ylpropanoic acid
CID 51704154
methyl 3-(azepan-1-yl)-2-(1,1-dioxothian-4-yl)propanoate
CID 117239589
methyl 3-(azepan-1-yl)-2-(thiolan-3-yl)propanoate
CID 117238166
2-methyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanoic acid
CID 63009103
2-cycloheptyl-3-hydroxypropanoic acid
CID 83817561
1-cyclobutyl-2-pyrrolidin-1-ylethanol
CID 117245548

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-pyrrolidin-1-ylpropanoic acid?
The IUPAC name of 2-cyclopropyl-3-pyrrolidin-1-ylpropanoic acid (CID 117245478) is 2-cyclopropyl-3-pyrrolidin-1-ylpropanoic acid.
What is the SMILES notation for 2-cyclopropyl-3-pyrrolidin-1-ylpropanoic acid?
The canonical SMILES for 2-cyclopropyl-3-pyrrolidin-1-ylpropanoic acid is O=C(O)C(CN1CCCC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-pyrrolidin-1-ylpropanoic acid?
The InChIKey is GCZNUXRZJBIMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c12-10(13)9(8-3-4-8)7-11-5-1-2-6-11/h8-9H,1-7H2,(H,12,13).
What are the key properties of 2-cyclopropyl-3-pyrrolidin-1-ylpropanoic acid?
2-cyclopropyl-3-pyrrolidin-1-ylpropanoic acid has a molecular weight of 183.25 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-pyrrolidin-1-ylpropanoic acid is sourced from PubChem (CID 117245478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).