methyl 3-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-(3-methoxy-3-oxopropyl)amino]propanoate

C14H27NO5 — CID 90208676

IUPACmethyl 3-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-(3-methoxy-3-oxopropyl)amino]propanoate
SMILESCC[C@H](C)[C@@H](CO)N(CCC(=O)OC)CCC(=O)OC
InChIInChI=1S/C14H27NO5/c1-5-11(2)12(10-16)15(8-6-13(17)19-3)9-7-14(18)20-4/h11-12,16H,5-10H2,1-4H3/t11-,12+/m0/s1
InChIKeyROALVSKYNBMWCN-NWDGAFQWSA-N
MW289.37 g/mol
LogP0.82
Rot. Bonds10

About methyl 3-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-(3-methoxy-3-oxopropyl)amino]propanoate

methyl 3-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-(3-methoxy-3-oxopropyl)amino]propanoate (PubChem CID 90208676) has the molecular formula C14H27NO5 and a molecular weight of 289.37 g/mol. Its IUPAC name is methyl 3-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-(3-methoxy-3-oxopropyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-(3-methoxy-3-oxopropyl)amino]propanoate
PubChem CID90208676
Molecular FormulaC14H27NO5
Molecular Weight289.37 g/mol
Exact Mass289.19
IUPAC Namemethyl 3-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-(3-methoxy-3-oxopropyl)amino]propanoate
SMILESCC[C@H](C)[C@@H](CO)N(CCC(=O)OC)CCC(=O)OC
InChIInChI=1S/C14H27NO5/c1-5-11(2)12(10-16)15(8-6-13(17)19-3)9-7-14(18)20-4/h11-12,16H,5-10H2,1-4H3/t11-,12+/m0/s1
InChIKeyROALVSKYNBMWCN-NWDGAFQWSA-N
XLogP0.82
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-(3-methoxy-3-oxopropyl)amino]propanoate with MolForge

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Related Compounds

methyl 3-[ethyl-(3-methoxy-3-oxopropyl)amino]butanoate
CID 62026047
methyl 3-[[(2S)-1-hydroxy-4-methylpentan-2-yl]-(3-iodooxy-3-oxopropyl)amino]propanoate
CID 90208830
methyl 3-[[1-(dimethylamino)-1-oxopropan-2-yl]-ethylamino]propanoate
CID 55208158
methyl 2-[(3-methoxy-3-oxopropyl)-propylamino]butanoate
CID 18914281
methyl 3-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]amino]propanoate
CID 90207576
ethyl 3-[2-methoxyethyl-(3-methoxy-3-oxopropyl)amino]butanoate
CID 113330781
methyl 3-[ethyl(hydroxy)amino]propanoate
CID 131223407
ethyl 2-[2-methoxyethyl-(3-methoxy-3-oxopropyl)amino]butanoate
CID 113330797
methyl (5S,6R)-5,6-dimethyloctanoate
CID 59216932
methyl 3-[2-chloroprop-2-enyl(propan-2-yl)amino]propanoate
CID 56790014
methyl 3-[methyl(pentan-2-yl)amino]propanoate
CID 43430775
methyl 3-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 59280841

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-(3-methoxy-3-oxopropyl)amino]propanoate?
The IUPAC name of methyl 3-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-(3-methoxy-3-oxopropyl)amino]propanoate (CID 90208676) is methyl 3-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-(3-methoxy-3-oxopropyl)amino]propanoate.
What is the SMILES notation for methyl 3-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-(3-methoxy-3-oxopropyl)amino]propanoate?
The canonical SMILES for methyl 3-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-(3-methoxy-3-oxopropyl)amino]propanoate is CC[C@H](C)[C@@H](CO)N(CCC(=O)OC)CCC(=O)OC.
What is the InChIKey of methyl 3-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-(3-methoxy-3-oxopropyl)amino]propanoate?
The InChIKey is ROALVSKYNBMWCN-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H27NO5/c1-5-11(2)12(10-16)15(8-6-13(17)19-3)9-7-14(18)20-4/h11-12,16H,5-10H2,1-4H3/t11-,12+/m0/s1.
What are the key properties of methyl 3-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-(3-methoxy-3-oxopropyl)amino]propanoate?
methyl 3-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-(3-methoxy-3-oxopropyl)amino]propanoate has a molecular weight of 289.37 g/mol, XLogP of 0.82, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-(3-methoxy-3-oxopropyl)amino]propanoate is sourced from PubChem (CID 90208676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).