ethyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate

C15H28N2O5 — CID 91718576

IUPACethyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate
SMILESCCCC(NC(=O)OCC)C(=O)NC(CCC)C(=O)OCC
InChIInChI=1S/C15H28N2O5/c1-5-9-11(17-15(20)22-8-4)13(18)16-12(10-6-2)14(19)21-7-3/h11-12H,5-10H2,1-4H3,(H,16,18)(H,17,20)
InChIKeyPSILKINUIAKGMM-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.75
Rot. Bonds10

About ethyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate

ethyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate (PubChem CID 91718576) has the molecular formula C15H28N2O5 and a molecular weight of 316.40 g/mol. Its IUPAC name is ethyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate.

Molecular Properties

Compound Nameethyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate
PubChem CID91718576
Molecular FormulaC15H28N2O5
Molecular Weight316.40 g/mol
Exact Mass316.20
IUPAC Nameethyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate
SMILESCCCC(NC(=O)OCC)C(=O)NC(CCC)C(=O)OCC
InChIInChI=1S/C15H28N2O5/c1-5-9-11(17-15(20)22-8-4)13(18)16-12(10-6-2)14(19)21-7-3/h11-12H,5-10H2,1-4H3,(H,16,18)(H,17,20)
InChIKeyPSILKINUIAKGMM-UHFFFAOYSA-N
XLogP1.75
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Leucyl-leucine-methyl ester
CID 7016877
methyl (2S)-2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]-4-methylpentanoate
CID 103954779
Methyl (2S)-2-(2-aminoacetamido)-4-methylpentanoate
CID 13751931
methyl 2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]acetate
CID 44298704
N(alpha)-acetylglycyllysyl methyl ester
CID 93061
methyl (2S)-2-[(2-acetamidoacetyl)amino]-4-methylpentanoate
CID 44298705
Ac-Ala-Lys(CO2Me)-Ala-OMe
CID 52941216
(S)-Methyl 2-((S)-6-acetamido-2-((S)-2-acetamidopropanamido)hexanamido)propanoate
CID 52948629
methyl (2S)-2-[[(2S)-2-(methylamino)hexanoyl]amino]hexanoate;hydrobromide
CID 73353244
propan-2-yl (2S)-2-acetamidopentanoate
CID 90680449
Oxalamido-L-leucine methyl ester
CID 139591353
L-Leucine, L-leucyl-, methyl ester, hydrochloride (1:1)
CID 15598024

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate?
The IUPAC name of ethyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate (CID 91718576) is ethyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate.
What is the SMILES notation for ethyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate?
The canonical SMILES for ethyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate is CCCC(NC(=O)OCC)C(=O)NC(CCC)C(=O)OCC.
What is the InChIKey of ethyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate?
The InChIKey is PSILKINUIAKGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O5/c1-5-9-11(17-15(20)22-8-4)13(18)16-12(10-6-2)14(19)21-7-3/h11-12H,5-10H2,1-4H3,(H,16,18)(H,17,20).
What are the key properties of ethyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate?
ethyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate has a molecular weight of 316.40 g/mol, XLogP of 1.75, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate is sourced from PubChem (CID 91718576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).