butyl 2-[2-(methoxycarbonylamino)pentanoylamino]pentanoate

C16H30N2O5 — CID 91714330

IUPACbutyl 2-[2-(methoxycarbonylamino)pentanoylamino]pentanoate
SMILESCCCCOC(=O)C(CCC)NC(=O)C(CCC)NC(=O)OC
InChIInChI=1S/C16H30N2O5/c1-5-8-11-23-15(20)13(10-7-3)17-14(19)12(9-6-2)18-16(21)22-4/h12-13H,5-11H2,1-4H3,(H,17,19)(H,18,21)
InChIKeyFUSSNGFKWQPGPC-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.14
Rot. Bonds11

About butyl 2-[2-(methoxycarbonylamino)pentanoylamino]pentanoate

butyl 2-[2-(methoxycarbonylamino)pentanoylamino]pentanoate (PubChem CID 91714330) has the molecular formula C16H30N2O5 and a molecular weight of 330.43 g/mol. Its IUPAC name is butyl 2-[2-(methoxycarbonylamino)pentanoylamino]pentanoate.

Molecular Properties

Compound Namebutyl 2-[2-(methoxycarbonylamino)pentanoylamino]pentanoate
PubChem CID91714330
Molecular FormulaC16H30N2O5
Molecular Weight330.43 g/mol
Exact Mass330.22
IUPAC Namebutyl 2-[2-(methoxycarbonylamino)pentanoylamino]pentanoate
SMILESCCCCOC(=O)C(CCC)NC(=O)C(CCC)NC(=O)OC
InChIInChI=1S/C16H30N2O5/c1-5-8-11-23-15(20)13(10-7-3)17-14(19)12(9-6-2)18-16(21)22-4/h12-13H,5-11H2,1-4H3,(H,17,19)(H,18,21)
InChIKeyFUSSNGFKWQPGPC-UHFFFAOYSA-N
XLogP2.14
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
6-[[(2R)-5-amino-2-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoyl]amino]hexyl acetate
CID 10760852
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

Frequently Asked Questions

What is the IUPAC name of butyl 2-[2-(methoxycarbonylamino)pentanoylamino]pentanoate?
The IUPAC name of butyl 2-[2-(methoxycarbonylamino)pentanoylamino]pentanoate (CID 91714330) is butyl 2-[2-(methoxycarbonylamino)pentanoylamino]pentanoate.
What is the SMILES notation for butyl 2-[2-(methoxycarbonylamino)pentanoylamino]pentanoate?
The canonical SMILES for butyl 2-[2-(methoxycarbonylamino)pentanoylamino]pentanoate is CCCCOC(=O)C(CCC)NC(=O)C(CCC)NC(=O)OC.
What is the InChIKey of butyl 2-[2-(methoxycarbonylamino)pentanoylamino]pentanoate?
The InChIKey is FUSSNGFKWQPGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O5/c1-5-8-11-23-15(20)13(10-7-3)17-14(19)12(9-6-2)18-16(21)22-4/h12-13H,5-11H2,1-4H3,(H,17,19)(H,18,21).
What are the key properties of butyl 2-[2-(methoxycarbonylamino)pentanoylamino]pentanoate?
butyl 2-[2-(methoxycarbonylamino)pentanoylamino]pentanoate has a molecular weight of 330.43 g/mol, XLogP of 2.14, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[2-(methoxycarbonylamino)pentanoylamino]pentanoate is sourced from PubChem (CID 91714330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).