propyl 4-methyl-2-[methyl(propoxycarbonyl)amino]pentanoate

C14H27NO4 — CID 91729871

IUPACpropyl 4-methyl-2-[methyl(propoxycarbonyl)amino]pentanoate
SMILESCCCOC(=O)C(CC(C)C)N(C)C(=O)OCCC
InChIInChI=1S/C14H27NO4/c1-6-8-18-13(16)12(10-11(3)4)15(5)14(17)19-9-7-2/h11-12H,6-10H2,1-5H3
InChIKeyHLLRREYNPZXPJV-UHFFFAOYSA-N
MW273.37 g/mol
LogP2.83
Rot. Bonds8

About propyl 4-methyl-2-[methyl(propoxycarbonyl)amino]pentanoate

propyl 4-methyl-2-[methyl(propoxycarbonyl)amino]pentanoate (PubChem CID 91729871) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is propyl 4-methyl-2-[methyl(propoxycarbonyl)amino]pentanoate.

Molecular Properties

Compound Namepropyl 4-methyl-2-[methyl(propoxycarbonyl)amino]pentanoate
PubChem CID91729871
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Namepropyl 4-methyl-2-[methyl(propoxycarbonyl)amino]pentanoate
SMILESCCCOC(=O)C(CC(C)C)N(C)C(=O)OCCC
InChIInChI=1S/C14H27NO4/c1-6-8-18-13(16)12(10-11(3)4)15(5)14(17)19-9-7-2/h11-12H,6-10H2,1-5H3
InChIKeyHLLRREYNPZXPJV-UHFFFAOYSA-N
XLogP2.83
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-{[(tert-butoxy)carbonyl](methyl)amino}-4-methylpentanoic acid
CID 7010555
Ethyl (2S)-2-((4S)-4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl)pentanoate
CID 11276570
tert-butyl (2S,4S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-fluoro-4-methylpentanoate
CID 15227562
tert-butyl (2S,4R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-fluoro-4-methylpentanoate
CID 12112639
ethyl (2S)-2-[acetyl(fluoro)amino]-4-methylpentanoate
CID 15813344
Ethyl 4-methyl-2-(2-oxoazetidin-1-yl)pentanoate
CID 121005908
ethyl (2S)-2-[methoxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,4-dimethylpentanoate
CID 11381545
ethyl (2S)-2-[methoxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-methylpentanoate
CID 11403921
N-((1,1-Dimethylethoxy)carbonyl)-N-(methoxymethyl)-L-isoleucine ethyl ester
CID 12164868
methyl (2S)-2-{[(tert-butoxy)carbonyl](methyl)amino}-4-methylpentanoate
CID 15655825
N-formylleucine ethyl ester
CID 54441995
ethyl (2S)-2-[methoxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylbutanoate
CID 101053580

Frequently Asked Questions

What is the IUPAC name of propyl 4-methyl-2-[methyl(propoxycarbonyl)amino]pentanoate?
The IUPAC name of propyl 4-methyl-2-[methyl(propoxycarbonyl)amino]pentanoate (CID 91729871) is propyl 4-methyl-2-[methyl(propoxycarbonyl)amino]pentanoate.
What is the SMILES notation for propyl 4-methyl-2-[methyl(propoxycarbonyl)amino]pentanoate?
The canonical SMILES for propyl 4-methyl-2-[methyl(propoxycarbonyl)amino]pentanoate is CCCOC(=O)C(CC(C)C)N(C)C(=O)OCCC.
What is the InChIKey of propyl 4-methyl-2-[methyl(propoxycarbonyl)amino]pentanoate?
The InChIKey is HLLRREYNPZXPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-6-8-18-13(16)12(10-11(3)4)15(5)14(17)19-9-7-2/h11-12H,6-10H2,1-5H3.
What are the key properties of propyl 4-methyl-2-[methyl(propoxycarbonyl)amino]pentanoate?
propyl 4-methyl-2-[methyl(propoxycarbonyl)amino]pentanoate has a molecular weight of 273.37 g/mol, XLogP of 2.83, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-methyl-2-[methyl(propoxycarbonyl)amino]pentanoate is sourced from PubChem (CID 91729871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).