(2R)-1-(cyclopentylamino)-3-(2-nitrophenoxy)propan-2-ol

C14H20N2O4 — CID 1266890

IUPAC(2R)-1-(cyclopentylamino)-3-(2-nitrophenoxy)propan-2-ol
SMILESO=[N+]([O-])c1ccccc1OC[C@H](O)CNC1CCCC1
InChIInChI=1S/C14H20N2O4/c17-12(9-15-11-5-1-2-6-11)10-20-14-8-4-3-7-13(14)16(18)19/h3-4,7-8,11-12,15,17H,1-2,5-6,9-10H2/t12-/m1/s1
InChIKeyIGXXJWCKQNEELE-GFCCVEGCSA-N
MW280.32 g/mol
LogP1.87
Rot. Bonds7

About (2R)-1-(cyclopentylamino)-3-(2-nitrophenoxy)propan-2-ol

(2R)-1-(cyclopentylamino)-3-(2-nitrophenoxy)propan-2-ol (PubChem CID 1266890) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is (2R)-1-(cyclopentylamino)-3-(2-nitrophenoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(cyclopentylamino)-3-(2-nitrophenoxy)propan-2-ol
PubChem CID1266890
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name(2R)-1-(cyclopentylamino)-3-(2-nitrophenoxy)propan-2-ol
SMILESO=[N+]([O-])c1ccccc1OC[C@H](O)CNC1CCCC1
InChIInChI=1S/C14H20N2O4/c17-12(9-15-11-5-1-2-6-11)10-20-14-8-4-3-7-13(14)16(18)19/h3-4,7-8,11-12,15,17H,1-2,5-6,9-10H2/t12-/m1/s1
InChIKeyIGXXJWCKQNEELE-GFCCVEGCSA-N
XLogP1.87
TPSA84.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(cyclopentylamino)-3-(2-nitrophenoxy)propan-2-ol;hydrochloride
CID 2969198
1-(2-chloro-6-nitrophenoxy)-3-(cyclopropylamino)propan-2-ol
CID 107716500
1-(tert-butylamino)-3-(2-nitrophenoxy)propan-2-ol
CID 14689265
(2R)-1-(2-bromophenoxy)-3-(cyclohexylamino)propan-2-ol
CID 804670
1-[2-[(2S)-3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone
CID 1248675
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(2-nitrophenoxy)propan-2-ol
CID 86788247
(2S)-1-(cycloheptylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 2086466
(2R)-1-(cycloheptylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 2086464
1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol
CID 62414951
1-(cyclooctylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 4799215
1-(2-nitrophenoxy)-3-(1-phenylethylamino)propan-2-ol
CID 3409707
1-(3-chloro-4-nitrophenoxy)-3-(cyclopropylamino)propan-2-ol
CID 62112261

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(cyclopentylamino)-3-(2-nitrophenoxy)propan-2-ol?
The IUPAC name of (2R)-1-(cyclopentylamino)-3-(2-nitrophenoxy)propan-2-ol (CID 1266890) is (2R)-1-(cyclopentylamino)-3-(2-nitrophenoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-(cyclopentylamino)-3-(2-nitrophenoxy)propan-2-ol?
The canonical SMILES for (2R)-1-(cyclopentylamino)-3-(2-nitrophenoxy)propan-2-ol is O=[N+]([O-])c1ccccc1OC[C@H](O)CNC1CCCC1.
What is the InChIKey of (2R)-1-(cyclopentylamino)-3-(2-nitrophenoxy)propan-2-ol?
The InChIKey is IGXXJWCKQNEELE-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N2O4/c17-12(9-15-11-5-1-2-6-11)10-20-14-8-4-3-7-13(14)16(18)19/h3-4,7-8,11-12,15,17H,1-2,5-6,9-10H2/t12-/m1/s1.
What are the key properties of (2R)-1-(cyclopentylamino)-3-(2-nitrophenoxy)propan-2-ol?
(2R)-1-(cyclopentylamino)-3-(2-nitrophenoxy)propan-2-ol has a molecular weight of 280.32 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(cyclopentylamino)-3-(2-nitrophenoxy)propan-2-ol is sourced from PubChem (CID 1266890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).