tert-butyl N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]propyl]carbamate

C12H26N2O3 — CID 103391216

IUPACtert-butyl N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]propyl]carbamate
SMILESCC[C@@H](CO)NC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C12H26N2O3/c1-6-10(8-15)14-9(2)7-13-11(16)17-12(3,4)5/h9-10,14-15H,6-8H2,1-5H3,(H,13,16)/t9?,10-/m0/s1
InChIKeySTMOOGPMSVPRQS-AXDSSHIGSA-N
MW246.35 g/mol
LogP1.26
Rot. Bonds6

About tert-butyl N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]propyl]carbamate

tert-butyl N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]propyl]carbamate (PubChem CID 103391216) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is tert-butyl N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]propyl]carbamate
PubChem CID103391216
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Nametert-butyl N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]propyl]carbamate
SMILESCC[C@@H](CO)NC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C12H26N2O3/c1-6-10(8-15)14-9(2)7-13-11(16)17-12(3,4)5/h9-10,14-15H,6-8H2,1-5H3,(H,13,16)/t9?,10-/m0/s1
InChIKeySTMOOGPMSVPRQS-AXDSSHIGSA-N
XLogP1.26
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(1-hydroxypentan-3-ylamino)propyl]carbamate
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tert-butyl N-[2-(heptan-4-ylamino)propyl]carbamate
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tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate
CID 103386965
tert-butyl N-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]propyl]carbamate
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tert-butyl N-[2-(octan-4-ylamino)propyl]carbamate
CID 106022993
tert-butyl N-[2-(3-methylpentan-2-ylamino)butyl]carbamate
CID 107251188
tert-butyl N-[2-(1-ethoxyethylamino)propyl]carbamate
CID 167219816
tert-butyl N-[(2R,3S)-2-(hydroxymethyl)-3-methylpentyl]carbamate
CID 75365792
tert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate
CID 59438683
tert-butyl N-[2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propyl]carbamate
CID 106158535
tert-butyl N-[2-(1-cyclobutylpropan-2-ylamino)butyl]carbamate
CID 107251071

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]propyl]carbamate (CID 103391216) is tert-butyl N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]propyl]carbamate is CC[C@@H](CO)NC(C)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]propyl]carbamate?
The InChIKey is STMOOGPMSVPRQS-AXDSSHIGSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-6-10(8-15)14-9(2)7-13-11(16)17-12(3,4)5/h9-10,14-15H,6-8H2,1-5H3,(H,13,16)/t9?,10-/m0/s1.
What are the key properties of tert-butyl N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]propyl]carbamate?
tert-butyl N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]propyl]carbamate has a molecular weight of 246.35 g/mol, XLogP of 1.26, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]propyl]carbamate is sourced from PubChem (CID 103391216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).