methyl 2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoyl]amino]acetate

C15H28N2O6 — CID 21016958

IUPACmethyl 2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoyl]amino]acetate
SMILESCCCCC(NC(=O)OC(C)(C)C)C(O)C(=O)NCC(=O)OC
InChIInChI=1S/C15H28N2O6/c1-6-7-8-10(17-14(21)23-15(2,3)4)12(19)13(20)16-9-11(18)22-5/h10,12,19H,6-9H2,1-5H3,(H,16,20)(H,17,21)
InChIKeyXDLLCVXIOICEQT-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.72
Rot. Bonds8

About methyl 2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoyl]amino]acetate

methyl 2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoyl]amino]acetate (PubChem CID 21016958) has the molecular formula C15H28N2O6 and a molecular weight of 332.40 g/mol. Its IUPAC name is methyl 2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoyl]amino]acetate
PubChem CID21016958
Molecular FormulaC15H28N2O6
Molecular Weight332.40 g/mol
Exact Mass332.19
IUPAC Namemethyl 2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoyl]amino]acetate
SMILESCCCCC(NC(=O)OC(C)(C)C)C(O)C(=O)NCC(=O)OC
InChIInChI=1S/C15H28N2O6/c1-6-7-8-10(17-14(21)23-15(2,3)4)12(19)13(20)16-9-11(18)22-5/h10,12,19H,6-9H2,1-5H3,(H,16,20)(H,17,21)
InChIKeyXDLLCVXIOICEQT-UHFFFAOYSA-N
XLogP0.72
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoyl]amino]acetate with MolForge

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Related Compounds

tert-butyl N-[(2S)-1-(benzylamino)-2-hydroxy-1-oxoheptan-3-yl]carbamate
CID 118389568
tert-butyl 2-[[2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoyl]amino]acetyl]amino]-2-phenylacetate
CID 20752683
tert-butyl N-[(2S,3S)-2-hydroxyheptan-3-yl]carbamate
CID 23243729
ethyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 22662602
tert-butyl N-[(3S)-7-amino-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamate
CID 58979688
tert-butyl N-[(4S,5S)-5-hydroxy-2-methylnonan-4-yl]carbamate
CID 91698916
methyl 2-[[5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]acetate
CID 132521354
tert-butyl N-[1-[[2-[[1-(dimethylcarbamoyl)cyclopropyl]amino]-2-oxoethyl]amino]-2-hydroxy-1-oxohexan-3-yl]carbamate
CID 163481008
methyl 2-[[(2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]acetate
CID 54307119
tert-butyl N-[(2S)-4-(butylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamate
CID 69027551
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;propane
CID 144755686
tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]decyl]carbamate
CID 151817419

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoyl]amino]acetate?
The IUPAC name of methyl 2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoyl]amino]acetate (CID 21016958) is methyl 2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoyl]amino]acetate is CCCCC(NC(=O)OC(C)(C)C)C(O)C(=O)NCC(=O)OC.
What is the InChIKey of methyl 2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoyl]amino]acetate?
The InChIKey is XDLLCVXIOICEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O6/c1-6-7-8-10(17-14(21)23-15(2,3)4)12(19)13(20)16-9-11(18)22-5/h10,12,19H,6-9H2,1-5H3,(H,16,20)(H,17,21).
What are the key properties of methyl 2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoyl]amino]acetate?
methyl 2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoyl]amino]acetate has a molecular weight of 332.40 g/mol, XLogP of 0.72, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoyl]amino]acetate is sourced from PubChem (CID 21016958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).