methyl (2S,3S)-3-methyl-2-[methyl-[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]amino]pentanoate

C19H38N2O4 — CID 10737130

IUPACmethyl (2S,3S)-3-methyl-2-[methyl-[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]amino]pentanoate
SMILESCC[C@H](C)[C@@H](C(=O)OC)N(C)C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC
InChIInChI=1S/C19H38N2O4/c1-10-13(3)15(20-18(23)25-19(5,6)7)12-21(8)16(14(4)11-2)17(22)24-9/h13-16H,10-12H2,1-9H3,(H,20,23)/t13-,14-,15+,16-/m0/s1
InChIKeyIBPGFGNFVFTDIU-JONQDZQNSA-N
MW358.52 g/mol
LogP3.45
Rot. Bonds9

About methyl (2S,3S)-3-methyl-2-[methyl-[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]amino]pentanoate

methyl (2S,3S)-3-methyl-2-[methyl-[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]amino]pentanoate (PubChem CID 10737130) has the molecular formula C19H38N2O4 and a molecular weight of 358.52 g/mol. Its IUPAC name is methyl (2S,3S)-3-methyl-2-[methyl-[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl (2S,3S)-3-methyl-2-[methyl-[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]amino]pentanoate
PubChem CID10737130
Molecular FormulaC19H38N2O4
Molecular Weight358.52 g/mol
Exact Mass358.28
IUPAC Namemethyl (2S,3S)-3-methyl-2-[methyl-[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]amino]pentanoate
SMILESCC[C@H](C)[C@@H](C(=O)OC)N(C)C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC
InChIInChI=1S/C19H38N2O4/c1-10-13(3)15(20-18(23)25-19(5,6)7)12-21(8)16(14(4)11-2)17(22)24-9/h13-16H,10-12H2,1-9H3,(H,20,23)/t13-,14-,15+,16-/m0/s1
InChIKeyIBPGFGNFVFTDIU-JONQDZQNSA-N
XLogP3.45
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.52
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (2S,3S)-3-methyl-2-[methyl-[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]amino]pentanoate with MolForge

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Related Compounds

methyl (2S,3S)-3-methyl-2-[[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]amino]pentanoate
CID 10736256
methyl (2S,3S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylpentanoate
CID 101154678
tert-butyl N-[(2S)-3-methyl-1-pyrrolidin-1-ylpentan-2-yl]carbamate
CID 101375813
tert-butyl N-[1-[methoxy(methyl)amino]-2-methyl-1-oxopentan-3-yl]carbamate
CID 118024739
methyl (2S,3S)-2-[[[(3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]-propan-2-ylcarbamoyl]amino]-3-methylpentanoate
CID 131715627
tert-butyl N-(1-amino-2-hydroxy-1-oxopentan-3-yl)carbamate
CID 143352872
methyl (2R,3S)-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 130655477
3-methyl-2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]amino]pentanoic acid
CID 19078227
methyl (3S,4S)-2-hydroxy-4-methyl-3-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoate
CID 11046237
(3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 125180154
methyl (2S)-3-[methoxy(methyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 54302944
methyl 2-(dimethylcarbamoyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 175539405

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3S)-3-methyl-2-[methyl-[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]amino]pentanoate?
The IUPAC name of methyl (2S,3S)-3-methyl-2-[methyl-[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]amino]pentanoate (CID 10737130) is methyl (2S,3S)-3-methyl-2-[methyl-[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]amino]pentanoate.
What is the SMILES notation for methyl (2S,3S)-3-methyl-2-[methyl-[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]amino]pentanoate?
The canonical SMILES for methyl (2S,3S)-3-methyl-2-[methyl-[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]amino]pentanoate is CC[C@H](C)[C@@H](C(=O)OC)N(C)C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC.
What is the InChIKey of methyl (2S,3S)-3-methyl-2-[methyl-[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]amino]pentanoate?
The InChIKey is IBPGFGNFVFTDIU-JONQDZQNSA-N. The full InChI is InChI=1S/C19H38N2O4/c1-10-13(3)15(20-18(23)25-19(5,6)7)12-21(8)16(14(4)11-2)17(22)24-9/h13-16H,10-12H2,1-9H3,(H,20,23)/t13-,14-,15+,16-/m0/s1.
What are the key properties of methyl (2S,3S)-3-methyl-2-[methyl-[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]amino]pentanoate?
methyl (2S,3S)-3-methyl-2-[methyl-[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]amino]pentanoate has a molecular weight of 358.52 g/mol, XLogP of 3.45, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3S)-3-methyl-2-[methyl-[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]amino]pentanoate is sourced from PubChem (CID 10737130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).