tert-butyl N-[(5S)-6-(cyclopropylamino)-5-hydroxy-6-oxohexyl]carbamate

C14H26N2O4 — CID 66786848

IUPACtert-butyl N-[(5S)-6-(cyclopropylamino)-5-hydroxy-6-oxohexyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCC[C@H](O)C(=O)NC1CC1
InChIInChI=1S/C14H26N2O4/c1-14(2,3)20-13(19)15-9-5-4-6-11(17)12(18)16-10-7-8-10/h10-11,17H,4-9H2,1-3H3,(H,15,19)(H,16,18)/t11-/m0/s1
InChIKeyGEFJJUKILZBOSV-NSHDSACASA-N
MW286.37 g/mol
LogP1.32
Rot. Bonds7

About tert-butyl N-[(5S)-6-(cyclopropylamino)-5-hydroxy-6-oxohexyl]carbamate

tert-butyl N-[(5S)-6-(cyclopropylamino)-5-hydroxy-6-oxohexyl]carbamate (PubChem CID 66786848) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is tert-butyl N-[(5S)-6-(cyclopropylamino)-5-hydroxy-6-oxohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(5S)-6-(cyclopropylamino)-5-hydroxy-6-oxohexyl]carbamate
PubChem CID66786848
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Nametert-butyl N-[(5S)-6-(cyclopropylamino)-5-hydroxy-6-oxohexyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCC[C@H](O)C(=O)NC1CC1
InChIInChI=1S/C14H26N2O4/c1-14(2,3)20-13(19)15-9-5-4-6-11(17)12(18)16-10-7-8-10/h10-11,17H,4-9H2,1-3H3,(H,15,19)(H,16,18)/t11-/m0/s1
InChIKeyGEFJJUKILZBOSV-NSHDSACASA-N
XLogP1.32
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-hydroxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 10586563
tert-butyl N-(5-hydroxyhexyl)carbamate
CID 130586251
tert-butyl N-[3-(cyclopropylamino)-3-oxopropyl]carbamate
CID 24688554
tert-butyl N-(6-methylheptyl)carbamate
CID 143166499
tert-butyl N-[(5S)-5-amino-6,6-dihydroxyhexyl]carbamate
CID 165157652
tert-butyl N-[4-(cyclobutylamino)butyl]carbamate
CID 130986034
tert-butyl N-[6-hydroxy-5-(hydroxymethyl)hexyl]carbamate
CID 142613690
tert-butyl N-[(5R)-5-aminohexyl]carbamate
CID 59986272
methyl (2S)-2-chloro-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 155642918
2-(tert-butylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 87355340
tert-butyl N-[1-[6-[2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]hexylamino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate
CID 123364045
tert-butyl N-[7-[(4-aminocyclohexyl)amino]heptyl]carbamate
CID 177068003

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(5S)-6-(cyclopropylamino)-5-hydroxy-6-oxohexyl]carbamate?
The IUPAC name of tert-butyl N-[(5S)-6-(cyclopropylamino)-5-hydroxy-6-oxohexyl]carbamate (CID 66786848) is tert-butyl N-[(5S)-6-(cyclopropylamino)-5-hydroxy-6-oxohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(5S)-6-(cyclopropylamino)-5-hydroxy-6-oxohexyl]carbamate?
The canonical SMILES for tert-butyl N-[(5S)-6-(cyclopropylamino)-5-hydroxy-6-oxohexyl]carbamate is CC(C)(C)OC(=O)NCCCC[C@H](O)C(=O)NC1CC1.
What is the InChIKey of tert-butyl N-[(5S)-6-(cyclopropylamino)-5-hydroxy-6-oxohexyl]carbamate?
The InChIKey is GEFJJUKILZBOSV-NSHDSACASA-N. The full InChI is InChI=1S/C14H26N2O4/c1-14(2,3)20-13(19)15-9-5-4-6-11(17)12(18)16-10-7-8-10/h10-11,17H,4-9H2,1-3H3,(H,15,19)(H,16,18)/t11-/m0/s1.
What are the key properties of tert-butyl N-[(5S)-6-(cyclopropylamino)-5-hydroxy-6-oxohexyl]carbamate?
tert-butyl N-[(5S)-6-(cyclopropylamino)-5-hydroxy-6-oxohexyl]carbamate has a molecular weight of 286.37 g/mol, XLogP of 1.32, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(5S)-6-(cyclopropylamino)-5-hydroxy-6-oxohexyl]carbamate is sourced from PubChem (CID 66786848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).