[2-aminobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] tert-butyl carbonate

C14H28N2O5 — CID 59417245

IUPAC[2-aminobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] tert-butyl carbonate
SMILESCCC(N)CN(OC(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O5/c1-8-10(15)9-16(11(17)19-13(2,3)4)21-12(18)20-14(5,6)7/h10H,8-9,15H2,1-7H3
InChIKeyIMUARKVFUKDLAU-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.83
Rot. Bonds3

About [2-aminobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] tert-butyl carbonate

[2-aminobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] tert-butyl carbonate (PubChem CID 59417245) has the molecular formula C14H28N2O5 and a molecular weight of 304.39 g/mol. Its IUPAC name is [2-aminobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] tert-butyl carbonate.

Molecular Properties

Compound Name[2-aminobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] tert-butyl carbonate
PubChem CID59417245
Molecular FormulaC14H28N2O5
Molecular Weight304.39 g/mol
Exact Mass304.20
IUPAC Name[2-aminobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] tert-butyl carbonate
SMILESCCC(N)CN(OC(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O5/c1-8-10(15)9-16(11(17)19-13(2,3)4)21-12(18)20-14(5,6)7/h10H,8-9,15H2,1-7H3
InChIKeyIMUARKVFUKDLAU-UHFFFAOYSA-N
XLogP2.83
TPSA91.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-aminopentyl tert-butyl carbonate
CID 174407601
tert-butyl [(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino] carbonate
CID 11380287
tert-butyl N-(2-amino-3-methoxypropyl)-N-methylcarbamate
CID 63753489
ethyl (Z)-6-[(2-methylpropan-2-yl)oxycarbonyl-[(2-methylpropan-2-yl)oxycarbonyloxy]amino]hex-2-enoate
CID 25185099
tert-butyl N,N-bis[1-(dimethylamino)propyl]carbamate
CID 87532205
tert-butyl [ethyl(propan-2-yl)amino] carbonate
CID 123302380
methyl (E,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(2-methylpropan-2-yl)oxycarbonyl-[(2-methylpropan-2-yl)oxycarbonyloxy]amino]hex-4-enoate
CID 11145189
tert-butyl (2R)-2-aminobutanoate
CID 13283520
tert-butyl N-methyl-N-pentan-3-ylcarbamate
CID 63787817
tert-butyl N-ethyl-N-(2-methylbutyl)carbamate
CID 79470192
tert-butyl N-(2-aminohexyl)-N-butylcarbamate
CID 163596345
tert-butyl pentan-3-yl carbonate
CID 88907075

Frequently Asked Questions

What is the IUPAC name of [2-aminobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] tert-butyl carbonate?
The IUPAC name of [2-aminobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] tert-butyl carbonate (CID 59417245) is [2-aminobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] tert-butyl carbonate.
What is the SMILES notation for [2-aminobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] tert-butyl carbonate?
The canonical SMILES for [2-aminobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] tert-butyl carbonate is CCC(N)CN(OC(=O)OC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of [2-aminobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] tert-butyl carbonate?
The InChIKey is IMUARKVFUKDLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O5/c1-8-10(15)9-16(11(17)19-13(2,3)4)21-12(18)20-14(5,6)7/h10H,8-9,15H2,1-7H3.
What are the key properties of [2-aminobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] tert-butyl carbonate?
[2-aminobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] tert-butyl carbonate has a molecular weight of 304.39 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-aminobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] tert-butyl carbonate is sourced from PubChem (CID 59417245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).