2-phenyl-2-(propylamino)-4-pyrrolidin-1-ylbutanoic acid

C17H26N2O2 — CID 116693516

IUPAC2-phenyl-2-(propylamino)-4-pyrrolidin-1-ylbutanoic acid
SMILESCCCNC(CCN1CCCC1)(C(=O)O)c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-2-11-18-17(16(20)21,15-8-4-3-5-9-15)10-14-19-12-6-7-13-19/h3-5,8-9,18H,2,6-7,10-14H2,1H3,(H,20,21)
InChIKeyXCROVSVTJHMZHP-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.45
Rot. Bonds8

About 2-phenyl-2-(propylamino)-4-pyrrolidin-1-ylbutanoic acid

2-phenyl-2-(propylamino)-4-pyrrolidin-1-ylbutanoic acid (PubChem CID 116693516) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-phenyl-2-(propylamino)-4-pyrrolidin-1-ylbutanoic acid.

Molecular Properties

Compound Name2-phenyl-2-(propylamino)-4-pyrrolidin-1-ylbutanoic acid
PubChem CID116693516
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-phenyl-2-(propylamino)-4-pyrrolidin-1-ylbutanoic acid
SMILESCCCNC(CCN1CCCC1)(C(=O)O)c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-2-11-18-17(16(20)21,15-8-4-3-5-9-15)10-14-19-12-6-7-13-19/h3-5,8-9,18H,2,6-7,10-14H2,1H3,(H,20,21)
InChIKeyXCROVSVTJHMZHP-UHFFFAOYSA-N
XLogP2.45
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-2-(propylamino)-4-pyrazol-1-ylbutanoic acid
CID 116693975
4-(oxetan-3-ylsulfanyl)-2-phenyl-2-(propylamino)butanoic acid
CID 116694802
3-cyclobutyloxy-2-phenyl-2-(propylamino)propanoic acid
CID 62140296
4-(2,2-difluoroethoxy)-2-phenyl-2-(propylamino)butanoic acid
CID 116694434
4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(propylamino)butanoic acid
CID 62230995
2-ethyl-2-phenyl-4-piperidin-1-ylbutanamide
CID 18110
2-(2-ethylphenyl)-2-phenyl-4-piperidin-1-ylbutanoic acid
CID 70474069
3-(2-cyclopropylethoxy)-2-phenyl-2-(propylamino)propanoic acid
CID 106204230
2-(ethylamino)-4-(4-methylpyrazol-1-yl)-2-phenylbutanoic acid
CID 116694007
3-(2,2-difluoroethoxy)-2-phenyl-2-(propylamino)propanoic acid
CID 82007199
1-(3,3-diphenyl-3-propoxypropyl)piperidine
CID 163484740
2-amino-4-(azocan-1-yl)-2-phenylbutanamide
CID 116693501

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(propylamino)-4-pyrrolidin-1-ylbutanoic acid?
The IUPAC name of 2-phenyl-2-(propylamino)-4-pyrrolidin-1-ylbutanoic acid (CID 116693516) is 2-phenyl-2-(propylamino)-4-pyrrolidin-1-ylbutanoic acid.
What is the SMILES notation for 2-phenyl-2-(propylamino)-4-pyrrolidin-1-ylbutanoic acid?
The canonical SMILES for 2-phenyl-2-(propylamino)-4-pyrrolidin-1-ylbutanoic acid is CCCNC(CCN1CCCC1)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-phenyl-2-(propylamino)-4-pyrrolidin-1-ylbutanoic acid?
The InChIKey is XCROVSVTJHMZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-11-18-17(16(20)21,15-8-4-3-5-9-15)10-14-19-12-6-7-13-19/h3-5,8-9,18H,2,6-7,10-14H2,1H3,(H,20,21).
What are the key properties of 2-phenyl-2-(propylamino)-4-pyrrolidin-1-ylbutanoic acid?
2-phenyl-2-(propylamino)-4-pyrrolidin-1-ylbutanoic acid has a molecular weight of 290.41 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(propylamino)-4-pyrrolidin-1-ylbutanoic acid is sourced from PubChem (CID 116693516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).