tert-butyl N-[(2S)-1-[[(2S)-1-[[(4S,5S)-5-hydroxynonan-4-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate

C24H47N3O5 — CID 10623727

IUPACtert-butyl N-[(2S)-1-[[(2S)-1-[[(4S,5S)-5-hydroxynonan-4-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCCCC[C@H](O)[C@H](CCC)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C
InChIInChI=1S/C24H47N3O5/c1-10-12-14-18(28)17(13-11-2)25-21(29)19(15(3)4)26-22(30)20(16(5)6)27-23(31)32-24(7,8)9/h15-20,28H,10-14H2,1-9H3,(H,25,29)(H,26,30)(H,27,31)/t17-,18-,19-,20-/m0/s1
InChIKeyRBZZOEXGSSEUSS-MUGJNUQGSA-N
MW457.66 g/mol
LogP3.51
Rot. Bonds13

About tert-butyl N-[(2S)-1-[[(2S)-1-[[(4S,5S)-5-hydroxynonan-4-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate

tert-butyl N-[(2S)-1-[[(2S)-1-[[(4S,5S)-5-hydroxynonan-4-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate (PubChem CID 10623727) has the molecular formula C24H47N3O5 and a molecular weight of 457.66 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-[[(2S)-1-[[(4S,5S)-5-hydroxynonan-4-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-[[(2S)-1-[[(4S,5S)-5-hydroxynonan-4-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
PubChem CID10623727
Molecular FormulaC24H47N3O5
Molecular Weight457.66 g/mol
Exact Mass457.35
IUPAC Nametert-butyl N-[(2S)-1-[[(2S)-1-[[(4S,5S)-5-hydroxynonan-4-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCCCC[C@H](O)[C@H](CCC)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C
InChIInChI=1S/C24H47N3O5/c1-10-12-14-18(28)17(13-11-2)25-21(29)19(15(3)4)26-22(30)20(16(5)6)27-23(31)32-24(7,8)9/h15-20,28H,10-14H2,1-9H3,(H,25,29)(H,26,30)(H,27,31)/t17-,18-,19-,20-/m0/s1
InChIKeyRBZZOEXGSSEUSS-MUGJNUQGSA-N
XLogP3.51
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.66
LogP ≤ 53.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(2S)-1-[[(2S)-1-[[(4S,5S)-5-hydroxynonan-4-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[1-(hexan-2-ylamino)-3-methyl-1-oxobutan-2-yl]carbamate
CID 62201361
tert-butyl N-[(4S,5S)-5-hydroxy-2-methylnonan-4-yl]carbamate
CID 91698916
tert-butyl N-[(2S,3S)-2-hydroxyheptan-3-yl]carbamate
CID 23243729
tert-butyl N-[(2R,3S)-1,3-dihydroxydodecan-2-yl]carbamate
CID 138976837
3-methyl-2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]butanoic acid
CID 14446127
tert-butyl N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]carbamate;ethane
CID 143423917
pentyl 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 90819509
tert-butyl N-[(2S)-3-hydroxyhexan-2-yl]carbamate
CID 87514848
tert-butyl N-[(2S,3R)-3-hydroxyhexan-2-yl]carbamate
CID 88613419
ethyl 2-[[(2S)-3-methyl-2-[[(2R)-3-methyl-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]butanoyl]amino]acetate
CID 23278426
tert-butyl N-[1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]carbamate
CID 74082031
tert-butyl (2S)-2-[[(2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-3-methylbutanoate
CID 146161325

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-[[(2S)-1-[[(4S,5S)-5-hydroxynonan-4-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-[[(2S)-1-[[(4S,5S)-5-hydroxynonan-4-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate (CID 10623727) is tert-butyl N-[(2S)-1-[[(2S)-1-[[(4S,5S)-5-hydroxynonan-4-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-[[(2S)-1-[[(4S,5S)-5-hydroxynonan-4-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-[[(2S)-1-[[(4S,5S)-5-hydroxynonan-4-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate is CCCC[C@H](O)[C@H](CCC)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C.
What is the InChIKey of tert-butyl N-[(2S)-1-[[(2S)-1-[[(4S,5S)-5-hydroxynonan-4-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate?
The InChIKey is RBZZOEXGSSEUSS-MUGJNUQGSA-N. The full InChI is InChI=1S/C24H47N3O5/c1-10-12-14-18(28)17(13-11-2)25-21(29)19(15(3)4)26-22(30)20(16(5)6)27-23(31)32-24(7,8)9/h15-20,28H,10-14H2,1-9H3,(H,25,29)(H,26,30)(H,27,31)/t17-,18-,19-,20-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-[[(2S)-1-[[(4S,5S)-5-hydroxynonan-4-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate?
tert-butyl N-[(2S)-1-[[(2S)-1-[[(4S,5S)-5-hydroxynonan-4-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate has a molecular weight of 457.66 g/mol, XLogP of 3.51, 13 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-[[(2S)-1-[[(4S,5S)-5-hydroxynonan-4-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 10623727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).