ethyl 4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate

C13H25NO4 — CID 22714633

IUPACethyl 4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
SMILESCCOC(=O)CCC(C)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO4/c1-7-17-11(15)9-8-10(2)14(6)12(16)18-13(3,4)5/h10H,7-9H2,1-6H3
InChIKeyYZSFDBDWWZVFFM-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.59
Rot. Bonds5

About ethyl 4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate

ethyl 4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate (PubChem CID 22714633) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is ethyl 4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate.

Molecular Properties

Compound Nameethyl 4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
PubChem CID22714633
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Nameethyl 4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
SMILESCCOC(=O)CCC(C)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO4/c1-7-17-11(15)9-8-10(2)14(6)12(16)18-13(3,4)5/h10H,7-9H2,1-6H3
InChIKeyYZSFDBDWWZVFFM-UHFFFAOYSA-N
XLogP2.59
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-Ethyl 4-((tert-butoxycarbonyl)amino)pentanoate
CID 92001257
Methyl 4-[ethyl(methoxycarbonyl)amino]pentanoate
CID 11378953
Methyl 4-(tert-butoxycarbonyl(methyl)amino)butanoate
CID 10681033
ethyl (R)-4-((tert-butoxycarbonyl)amino)pentanoate
CID 16103576
5-Hydroxy-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
CID 19973377
methyl (4S)-4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-oxopentanoate
CID 20575899
tert-butyl N-methyl-N-(5-oxopentan-2-yl)carbamate
CID 22714616
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(2R)-5-oxopentan-2-yl]carbamate
CID 59366894
methyl (4R)-4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
CID 59367235
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-oxopentan-2-yl)carbamate
CID 59868543
Methyl 4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
CID 59868550
5-Acetyloxy-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
CID 87325130

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate?
The IUPAC name of ethyl 4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate (CID 22714633) is ethyl 4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate.
What is the SMILES notation for ethyl 4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate?
The canonical SMILES for ethyl 4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate is CCOC(=O)CCC(C)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of ethyl 4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate?
The InChIKey is YZSFDBDWWZVFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-7-17-11(15)9-8-10(2)14(6)12(16)18-13(3,4)5/h10H,7-9H2,1-6H3.
What are the key properties of ethyl 4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate?
ethyl 4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate has a molecular weight of 259.35 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate is sourced from PubChem (CID 22714633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).