3-[(1R,3R)-3-(butoxycarbonylamino)cyclopentyl]propyl-ethoxy-oxophosphanium

C15H29NO4P+ — CID 154439858

IUPAC3-[(1R,3R)-3-(butoxycarbonylamino)cyclopentyl]propyl-ethoxy-oxophosphanium
SMILESCCCCOC(=O)N[C@@H]1CC[C@H](CCC[P+](=O)OCC)C1
InChIInChI=1S/C15H28NO4P/c1-3-5-10-19-15(17)16-14-9-8-13(12-14)7-6-11-21(18)20-4-2/h13-14H,3-12H2,1-2H3/p+1/t13-,14+/m0/s1
InChIKeyZICVHUDKKMEYNV-UONOGXRCSA-O
MW318.37 g/mol
LogP4.24
Rot. Bonds10

About 3-[(1R,3R)-3-(butoxycarbonylamino)cyclopentyl]propyl-ethoxy-oxophosphanium

3-[(1R,3R)-3-(butoxycarbonylamino)cyclopentyl]propyl-ethoxy-oxophosphanium (PubChem CID 154439858) has the molecular formula C15H29NO4P+ and a molecular weight of 318.37 g/mol. Its IUPAC name is 3-[(1R,3R)-3-(butoxycarbonylamino)cyclopentyl]propyl-ethoxy-oxophosphanium.

Molecular Properties

Compound Name3-[(1R,3R)-3-(butoxycarbonylamino)cyclopentyl]propyl-ethoxy-oxophosphanium
PubChem CID154439858
Molecular FormulaC15H29NO4P+
Molecular Weight318.37 g/mol
Exact Mass318.18
IUPAC Name3-[(1R,3R)-3-(butoxycarbonylamino)cyclopentyl]propyl-ethoxy-oxophosphanium
SMILESCCCCOC(=O)N[C@@H]1CC[C@H](CCC[P+](=O)OCC)C1
InChIInChI=1S/C15H28NO4P/c1-3-5-10-19-15(17)16-14-9-8-13(12-14)7-6-11-21(18)20-4-2/h13-14H,3-12H2,1-2H3/p+1/t13-,14+/m0/s1
InChIKeyZICVHUDKKMEYNV-UONOGXRCSA-O
XLogP4.24
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

ethyl N-(4-butylcyclohexyl)carbamate
CID 145473547
butyl N-(3-hydroxycyclobutyl)carbamate
CID 90731053
butyl N-(4-formylcyclohexyl)carbamate
CID 87266632
methyl N-[4-[[4-(hexoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 170941393
ethyl N-(4-propylcyclohexyl)carbamate
CID 61381222
methyl 3-butyl-5-(ethoxycarbonylamino)piperidine-1-carboxylate
CID 112543780
2-hydroxyethyl N-(4-propylcyclohexyl)carbamate
CID 79349163
ethyl N-(5-butyl-1-cyclopentylpiperidin-3-yl)carbamate
CID 112543964
ethyl N-(1,5-dibutylpiperidin-3-yl)carbamate
CID 112543731
[4-(propoxycarbonylamino)cyclohexyl]carbamic acid
CID 139823141
octadecyl N-cyclohexylcarbamate
CID 70449091
butyl N-(2-hydroxy-1,3-dioxan-5-yl)carbamate
CID 144589052

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,3R)-3-(butoxycarbonylamino)cyclopentyl]propyl-ethoxy-oxophosphanium?
The IUPAC name of 3-[(1R,3R)-3-(butoxycarbonylamino)cyclopentyl]propyl-ethoxy-oxophosphanium (CID 154439858) is 3-[(1R,3R)-3-(butoxycarbonylamino)cyclopentyl]propyl-ethoxy-oxophosphanium.
What is the SMILES notation for 3-[(1R,3R)-3-(butoxycarbonylamino)cyclopentyl]propyl-ethoxy-oxophosphanium?
The canonical SMILES for 3-[(1R,3R)-3-(butoxycarbonylamino)cyclopentyl]propyl-ethoxy-oxophosphanium is CCCCOC(=O)N[C@@H]1CC[C@H](CCC[P+](=O)OCC)C1.
What is the InChIKey of 3-[(1R,3R)-3-(butoxycarbonylamino)cyclopentyl]propyl-ethoxy-oxophosphanium?
The InChIKey is ZICVHUDKKMEYNV-UONOGXRCSA-O. The full InChI is InChI=1S/C15H28NO4P/c1-3-5-10-19-15(17)16-14-9-8-13(12-14)7-6-11-21(18)20-4-2/h13-14H,3-12H2,1-2H3/p+1/t13-,14+/m0/s1.
What are the key properties of 3-[(1R,3R)-3-(butoxycarbonylamino)cyclopentyl]propyl-ethoxy-oxophosphanium?
3-[(1R,3R)-3-(butoxycarbonylamino)cyclopentyl]propyl-ethoxy-oxophosphanium has a molecular weight of 318.37 g/mol, XLogP of 4.24, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,3R)-3-(butoxycarbonylamino)cyclopentyl]propyl-ethoxy-oxophosphanium is sourced from PubChem (CID 154439858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).