3-[(2S)-1-[(3S)-5-amino-2,3-dihydro-1H-pyrrol-3-yl]butan-2-yl]oxyphenol

C14H20N2O2 — CID 141253097

IUPAC3-[(2S)-1-[(3S)-5-amino-2,3-dihydro-1H-pyrrol-3-yl]butan-2-yl]oxyphenol
SMILESCC[C@@H](C[C@H]1C=C(N)NC1)Oc1cccc(O)c1
InChIInChI=1S/C14H20N2O2/c1-2-12(6-10-7-14(15)16-9-10)18-13-5-3-4-11(17)8-13/h3-5,7-8,10,12,16-17H,2,6,9,15H2,1H3/t10-,12-/m0/s1
InChIKeyUTMWMPRRSVEZRS-JQWIXIFHSA-N
MW248.33 g/mol
LogP1.96
Rot. Bonds5

About 3-[(2S)-1-[(3S)-5-amino-2,3-dihydro-1H-pyrrol-3-yl]butan-2-yl]oxyphenol

3-[(2S)-1-[(3S)-5-amino-2,3-dihydro-1H-pyrrol-3-yl]butan-2-yl]oxyphenol (PubChem CID 141253097) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-[(2S)-1-[(3S)-5-amino-2,3-dihydro-1H-pyrrol-3-yl]butan-2-yl]oxyphenol.

Molecular Properties

Compound Name3-[(2S)-1-[(3S)-5-amino-2,3-dihydro-1H-pyrrol-3-yl]butan-2-yl]oxyphenol
PubChem CID141253097
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-[(2S)-1-[(3S)-5-amino-2,3-dihydro-1H-pyrrol-3-yl]butan-2-yl]oxyphenol
SMILESCC[C@@H](C[C@H]1C=C(N)NC1)Oc1cccc(O)c1
InChIInChI=1S/C14H20N2O2/c1-2-12(6-10-7-14(15)16-9-10)18-13-5-3-4-11(17)8-13/h3-5,7-8,10,12,16-17H,2,6,9,15H2,1H3/t10-,12-/m0/s1
InChIKeyUTMWMPRRSVEZRS-JQWIXIFHSA-N
XLogP1.96
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[(2S)-1-[(3S)-5-amino-2,3-dihydro-1H-pyrrol-3-yl]butan-2-yl]oxyphenol with MolForge

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Related Compounds

1,3-di(pentan-3-yloxy)benzene
CID 91386050
3-[1-(azetidin-3-yl)ethoxy]phenol
CID 105447139
3-but-3-en-2-yloxyphenol
CID 62384342
(3S)-3-[2-[4-(trifluoromethyl)phenyl]butyl]-2,3-dihydro-1H-pyrrol-5-amine
CID 141332995
(3S)-3-[3-(3-methylphenyl)pentyl]-2,3-dihydro-1H-pyrrol-5-amine
CID 141253180
3-decan-4-yloxyphenol
CID 57284040
(3S)-3-[(N-ethyl-3-phenoxyanilino)methyl]-2,3-dihydro-1H-pyrrol-5-amine
CID 141317247
benzene-1,3-diol;3-propan-2-yloxyphenol
CID 159090607
3-(1-fluorobutoxy)phenol
CID 174949464
3-(3-hydroxybutan-2-yloxy)phenol
CID 77394204
3-(1,1,1-trifluoropropan-2-yloxy)phenol
CID 117095393
butyl 2-(3-hydroxyphenoxy)propanoate
CID 154641842

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-[(3S)-5-amino-2,3-dihydro-1H-pyrrol-3-yl]butan-2-yl]oxyphenol?
The IUPAC name of 3-[(2S)-1-[(3S)-5-amino-2,3-dihydro-1H-pyrrol-3-yl]butan-2-yl]oxyphenol (CID 141253097) is 3-[(2S)-1-[(3S)-5-amino-2,3-dihydro-1H-pyrrol-3-yl]butan-2-yl]oxyphenol.
What is the SMILES notation for 3-[(2S)-1-[(3S)-5-amino-2,3-dihydro-1H-pyrrol-3-yl]butan-2-yl]oxyphenol?
The canonical SMILES for 3-[(2S)-1-[(3S)-5-amino-2,3-dihydro-1H-pyrrol-3-yl]butan-2-yl]oxyphenol is CC[C@@H](C[C@H]1C=C(N)NC1)Oc1cccc(O)c1.
What is the InChIKey of 3-[(2S)-1-[(3S)-5-amino-2,3-dihydro-1H-pyrrol-3-yl]butan-2-yl]oxyphenol?
The InChIKey is UTMWMPRRSVEZRS-JQWIXIFHSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-12(6-10-7-14(15)16-9-10)18-13-5-3-4-11(17)8-13/h3-5,7-8,10,12,16-17H,2,6,9,15H2,1H3/t10-,12-/m0/s1.
What are the key properties of 3-[(2S)-1-[(3S)-5-amino-2,3-dihydro-1H-pyrrol-3-yl]butan-2-yl]oxyphenol?
3-[(2S)-1-[(3S)-5-amino-2,3-dihydro-1H-pyrrol-3-yl]butan-2-yl]oxyphenol has a molecular weight of 248.33 g/mol, XLogP of 1.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-[(3S)-5-amino-2,3-dihydro-1H-pyrrol-3-yl]butan-2-yl]oxyphenol is sourced from PubChem (CID 141253097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).