ethyl 2-[ethyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate

C14H26N2O5 — CID 134917950

IUPACethyl 2-[ethyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)[C@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O5/c1-7-16(9-11(17)20-8-2)12(18)10(3)15-13(19)21-14(4,5)6/h10H,7-9H2,1-6H3,(H,15,19)/t10-/m0/s1
InChIKeyNMSQFZSTAZLXSU-JTQLQIEISA-N
MW302.37 g/mol
LogP1.31
Rot. Bonds6

About ethyl 2-[ethyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate

ethyl 2-[ethyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate (PubChem CID 134917950) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is ethyl 2-[ethyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[ethyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate
PubChem CID134917950
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Nameethyl 2-[ethyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)[C@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O5/c1-7-16(9-11(17)20-8-2)12(18)10(3)15-13(19)21-14(4,5)6/h10H,7-9H2,1-6H3,(H,15,19)/t10-/m0/s1
InChIKeyNMSQFZSTAZLXSU-JTQLQIEISA-N
XLogP1.31
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[ethyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate with MolForge

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Related Compounds

2-[2-[(2-Methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoic acid
CID 333461
Ethyl 2-({4-amino-2-[(tert-butoxycarbonyl)amino]-4-oxobutanoyl}amino)acetate
CID 2819985
tert-butyl (2S)-2-[[2-(tert-butoxycarbonylamino)acetyl]amino]-3-methyl-butanoate
CID 71454071
tert-butyl (2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoate
CID 71461223
1-tert-Butyl 3-ethyl piperazine-1,3-dicarboxylate
CID 11402671
N-(((2-Methyl-2-propanyl)oxy)carbonyl)-L-alanyl-L-alaninamide
CID 5497045
N-((1,1-Dimethylethoxy)carbonyl)-L-alanyl-L-alanine
CID 6992569
N-[N-Boc-D-alaninyl]-D-alanine
CID 86308274
1-tert-Butyl 3-methyl piperazine-1,3-dicarboxylate
CID 2756819
Ethyl N-(2-((tert-butoxycarbonyl)amino)ethyl)glycinate--hydrogen chloride (1/1)
CID 11778552
Tert-butyl 2-[2-(2-aminoacetamido)acetamido]acetate
CID 22418648
N-Acetyl-ala-ala-ala-methylester
CID 5462473

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate?
The IUPAC name of ethyl 2-[ethyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate (CID 134917950) is ethyl 2-[ethyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[ethyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate?
The canonical SMILES for ethyl 2-[ethyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate is CCOC(=O)CN(CC)C(=O)[C@H](C)NC(=O)OC(C)(C)C.
What is the InChIKey of ethyl 2-[ethyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate?
The InChIKey is NMSQFZSTAZLXSU-JTQLQIEISA-N. The full InChI is InChI=1S/C14H26N2O5/c1-7-16(9-11(17)20-8-2)12(18)10(3)15-13(19)21-14(4,5)6/h10H,7-9H2,1-6H3,(H,15,19)/t10-/m0/s1.
What are the key properties of ethyl 2-[ethyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate?
ethyl 2-[ethyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate has a molecular weight of 302.37 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate is sourced from PubChem (CID 134917950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).