3-aminopentyl tert-butyl carbonate

C10H21NO3 — CID 174407601

IUPAC3-aminopentyl tert-butyl carbonate
SMILESCCC(N)CCOC(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO3/c1-5-8(11)6-7-13-9(12)14-10(2,3)4/h8H,5-7,11H2,1-4H3
InChIKeyOODSLEAWONXPOL-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.07
Rot. Bonds4

About 3-aminopentyl tert-butyl carbonate

3-aminopentyl tert-butyl carbonate (PubChem CID 174407601) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 3-aminopentyl tert-butyl carbonate.

Molecular Properties

Compound Name3-aminopentyl tert-butyl carbonate
PubChem CID174407601
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name3-aminopentyl tert-butyl carbonate
SMILESCCC(N)CCOC(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO3/c1-5-8(11)6-7-13-9(12)14-10(2,3)4/h8H,5-7,11H2,1-4H3
InChIKeyOODSLEAWONXPOL-UHFFFAOYSA-N
XLogP2.07
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonyloxy]propyl carbonate
CID 87663163
tert-butyl N-[(5R)-5-aminoheptyl]carbamate
CID 163765296
[2-aminobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] tert-butyl carbonate
CID 59417245
2-bromoethyl tert-butyl carbonate
CID 165178852
tert-butyl (2R)-2-aminobutanoate
CID 13283520
tert-butyl heptyl carbonate
CID 14883661
tert-butyl dodecyl carbonate
CID 13437280
(2-methylpropan-2-yl)oxycarbonyl (2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 87709759
2-methylbut-3-en-2-yl 3-methylpentyl carbonate
CID 139638871
tert-butyl pentan-3-yl carbonate
CID 88907075
tert-butyl (2S)-2-[[(2S)-2-aminobutyl]amino]butanoate
CID 170555643
bis(3,6-dihydroxyoctyl) carbonate
CID 146442796

Frequently Asked Questions

What is the IUPAC name of 3-aminopentyl tert-butyl carbonate?
The IUPAC name of 3-aminopentyl tert-butyl carbonate (CID 174407601) is 3-aminopentyl tert-butyl carbonate.
What is the SMILES notation for 3-aminopentyl tert-butyl carbonate?
The canonical SMILES for 3-aminopentyl tert-butyl carbonate is CCC(N)CCOC(=O)OC(C)(C)C.
What is the InChIKey of 3-aminopentyl tert-butyl carbonate?
The InChIKey is OODSLEAWONXPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-5-8(11)6-7-13-9(12)14-10(2,3)4/h8H,5-7,11H2,1-4H3.
What are the key properties of 3-aminopentyl tert-butyl carbonate?
3-aminopentyl tert-butyl carbonate has a molecular weight of 203.28 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopentyl tert-butyl carbonate is sourced from PubChem (CID 174407601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).