tert-butyl N-[(4S)-5-amino-3-hydroxy-4-methylpentyl]carbamate

C11H24N2O3 — CID 175626004

IUPACtert-butyl N-[(4S)-5-amino-3-hydroxy-4-methylpentyl]carbamate
SMILESC[C@@H](CN)C(O)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H24N2O3/c1-8(7-12)9(14)5-6-13-10(15)16-11(2,3)4/h8-9,14H,5-7,12H2,1-4H3,(H,13,15)/t8-,9?/m0/s1
InChIKeyAEWHSJSAIYBQDF-IENPIDJESA-N
MW232.32 g/mol
LogP0.86
Rot. Bonds5

About tert-butyl N-[(4S)-5-amino-3-hydroxy-4-methylpentyl]carbamate

tert-butyl N-[(4S)-5-amino-3-hydroxy-4-methylpentyl]carbamate (PubChem CID 175626004) has the molecular formula C11H24N2O3 and a molecular weight of 232.32 g/mol. Its IUPAC name is tert-butyl N-[(4S)-5-amino-3-hydroxy-4-methylpentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4S)-5-amino-3-hydroxy-4-methylpentyl]carbamate
PubChem CID175626004
Molecular FormulaC11H24N2O3
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Nametert-butyl N-[(4S)-5-amino-3-hydroxy-4-methylpentyl]carbamate
SMILESC[C@@H](CN)C(O)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H24N2O3/c1-8(7-12)9(14)5-6-13-10(15)16-11(2,3)4/h8-9,14H,5-7,12H2,1-4H3,(H,13,15)/t8-,9?/m0/s1
InChIKeyAEWHSJSAIYBQDF-IENPIDJESA-N
XLogP0.86
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 59367237
tert-butyl N-(3,3-dihydroxypropyl)carbamate
CID 89159940
tert-butyl N-(8-amino-3,6-dihydroxyoctyl)carbamate
CID 174908055
tert-butyl N-[(3R,4R,5R)-4,6-diamino-3-ethyl-5-methylhexyl]carbamate
CID 164914687
tert-butyl N-[4-amino-3-[bis(2-methylpropyl)amino]butyl]carbamate
CID 102729674
tert-butyl N-[(3R)-3,4-dihydroxybutyl]carbamate
CID 10330583
tert-butyl N-(3-methoxybutyl)carbamate
CID 126989537
tert-butyl N-[3,4-dihydroxy-4-(4-propan-2-ylphenyl)butyl]carbamate
CID 171884677
tert-butyl N-[2-[[(2R)-2-hydroxypropanoyl]amino]ethyl]carbamate
CID 134128297
tert-butyl N-[2-(3-methylbutylcarbamoylamino)ethyl]carbamate
CID 108864561
tert-butyl N-(5-hydroxyhexyl)carbamate
CID 130586251
tert-butyl N-[3-(1-aminopropan-2-ylamino)propyl]carbamate
CID 107241253

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4S)-5-amino-3-hydroxy-4-methylpentyl]carbamate?
The IUPAC name of tert-butyl N-[(4S)-5-amino-3-hydroxy-4-methylpentyl]carbamate (CID 175626004) is tert-butyl N-[(4S)-5-amino-3-hydroxy-4-methylpentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(4S)-5-amino-3-hydroxy-4-methylpentyl]carbamate?
The canonical SMILES for tert-butyl N-[(4S)-5-amino-3-hydroxy-4-methylpentyl]carbamate is C[C@@H](CN)C(O)CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(4S)-5-amino-3-hydroxy-4-methylpentyl]carbamate?
The InChIKey is AEWHSJSAIYBQDF-IENPIDJESA-N. The full InChI is InChI=1S/C11H24N2O3/c1-8(7-12)9(14)5-6-13-10(15)16-11(2,3)4/h8-9,14H,5-7,12H2,1-4H3,(H,13,15)/t8-,9?/m0/s1.
What are the key properties of tert-butyl N-[(4S)-5-amino-3-hydroxy-4-methylpentyl]carbamate?
tert-butyl N-[(4S)-5-amino-3-hydroxy-4-methylpentyl]carbamate has a molecular weight of 232.32 g/mol, XLogP of 0.86, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4S)-5-amino-3-hydroxy-4-methylpentyl]carbamate is sourced from PubChem (CID 175626004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).