tert-butyl N-[(1S,3S)-3-[butyl(ethoxy)phosphoryl]cyclopentyl]carbamate

C16H32NO4P — CID 11551713

IUPACtert-butyl N-[(1S,3S)-3-[butyl(ethoxy)phosphoryl]cyclopentyl]carbamate
SMILESCCCCP(=O)(OCC)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H32NO4P/c1-6-8-11-22(19,20-7-2)14-10-9-13(12-14)17-15(18)21-16(3,4)5/h13-14H,6-12H2,1-5H3,(H,17,18)/t13-,14-,22?/m0/s1
InChIKeyMJYDBYNJMPFVFH-LYXHXKSRSA-N
MW333.41 g/mol
LogP4.55
Rot. Bonds7

About tert-butyl N-[(1S,3S)-3-[butyl(ethoxy)phosphoryl]cyclopentyl]carbamate

tert-butyl N-[(1S,3S)-3-[butyl(ethoxy)phosphoryl]cyclopentyl]carbamate (PubChem CID 11551713) has the molecular formula C16H32NO4P and a molecular weight of 333.41 g/mol. Its IUPAC name is tert-butyl N-[(1S,3S)-3-[butyl(ethoxy)phosphoryl]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,3S)-3-[butyl(ethoxy)phosphoryl]cyclopentyl]carbamate
PubChem CID11551713
Molecular FormulaC16H32NO4P
Molecular Weight333.41 g/mol
Exact Mass333.21
IUPAC Nametert-butyl N-[(1S,3S)-3-[butyl(ethoxy)phosphoryl]cyclopentyl]carbamate
SMILESCCCCP(=O)(OCC)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H32NO4P/c1-6-8-11-22(19,20-7-2)14-10-9-13(12-14)17-15(18)21-16(3,4)5/h13-14H,6-12H2,1-5H3,(H,17,18)/t13-,14-,22?/m0/s1
InChIKeyMJYDBYNJMPFVFH-LYXHXKSRSA-N
XLogP4.55
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

butyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]phosphinate
CID 22281228
tert-butyl N-[3-(pentylamino)cyclopentyl]carbamate
CID 79462575
tert-butyl N-[3-(heptan-2-ylamino)cyclopentyl]carbamate
CID 79462216
tert-butyl N-[4-(heptylamino)cyclohexyl]carbamate
CID 103947988
tert-butyl N-[3-[(4-ethylcyclohexyl)amino]cyclopentyl]carbamate
CID 103719843
tert-butyl N-[4-(hexylamino)cyclohexyl]carbamate
CID 79113104
tert-butyl N-[3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cyclopentyl]carbamate
CID 103719960
tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate
CID 86222893
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[3-(ethylcarbamoyl)cyclopentyl]carbamate
CID 123825419
tert-butyl N-[(1S)-3-aminocyclopentyl]carbamate
CID 129185983
tert-butyl N-(4-aminooxycyclohexyl)carbamate
CID 22408668

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,3S)-3-[butyl(ethoxy)phosphoryl]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,3S)-3-[butyl(ethoxy)phosphoryl]cyclopentyl]carbamate (CID 11551713) is tert-butyl N-[(1S,3S)-3-[butyl(ethoxy)phosphoryl]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,3S)-3-[butyl(ethoxy)phosphoryl]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,3S)-3-[butyl(ethoxy)phosphoryl]cyclopentyl]carbamate is CCCCP(=O)(OCC)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[(1S,3S)-3-[butyl(ethoxy)phosphoryl]cyclopentyl]carbamate?
The InChIKey is MJYDBYNJMPFVFH-LYXHXKSRSA-N. The full InChI is InChI=1S/C16H32NO4P/c1-6-8-11-22(19,20-7-2)14-10-9-13(12-14)17-15(18)21-16(3,4)5/h13-14H,6-12H2,1-5H3,(H,17,18)/t13-,14-,22?/m0/s1.
What are the key properties of tert-butyl N-[(1S,3S)-3-[butyl(ethoxy)phosphoryl]cyclopentyl]carbamate?
tert-butyl N-[(1S,3S)-3-[butyl(ethoxy)phosphoryl]cyclopentyl]carbamate has a molecular weight of 333.41 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,3S)-3-[butyl(ethoxy)phosphoryl]cyclopentyl]carbamate is sourced from PubChem (CID 11551713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).