ethyl 2-(5-aminohexanoylamino)propanoate

C11H22N2O3 — CID 82851561

IUPACethyl 2-(5-aminohexanoylamino)propanoate
SMILESCCOC(=O)C(C)NC(=O)CCCC(C)N
InChIInChI=1S/C11H22N2O3/c1-4-16-11(15)9(3)13-10(14)7-5-6-8(2)12/h8-9H,4-7,12H2,1-3H3,(H,13,14)
InChIKeyYYHHUBQQALGPQF-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.57
Rot. Bonds7

About ethyl 2-(5-aminohexanoylamino)propanoate

ethyl 2-(5-aminohexanoylamino)propanoate (PubChem CID 82851561) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is ethyl 2-(5-aminohexanoylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(5-aminohexanoylamino)propanoate
PubChem CID82851561
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nameethyl 2-(5-aminohexanoylamino)propanoate
SMILESCCOC(=O)C(C)NC(=O)CCCC(C)N
InChIInChI=1S/C11H22N2O3/c1-4-16-11(15)9(3)13-10(14)7-5-6-8(2)12/h8-9H,4-7,12H2,1-3H3,(H,13,14)
InChIKeyYYHHUBQQALGPQF-UHFFFAOYSA-N
XLogP0.57
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(3-aminopropanoylamino)propanoate
CID 61499067
5-amino-N-pentan-3-ylhexanamide
CID 82848944
methyl 2-(pentanoylamino)propanoate
CID 541659
pentyl 2-(pentanoylamino)propanoate
CID 6420533
(2S)-2-(5-aminohexanoylamino)hexanoic acid
CID 107146995
diethyl 2-(4-aminopentanoylamino)propanedioate;hydrochloride
CID 120559501
hexyl 2-(pentanoylamino)propanoate
CID 6420522
ethyl 2-(5-aminohexanoylamino)acetate
CID 82852077
2-(5-aminohexanoylamino)butanoic acid
CID 82851641
ethyl (2S)-2-(3-oxododecanoylamino)propanoate
CID 50991278
(1-ethoxy-1-oxopropan-2-yl)carbamic acid
CID 58928687
5-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]hexanoic acid
CID 82848167

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-aminohexanoylamino)propanoate?
The IUPAC name of ethyl 2-(5-aminohexanoylamino)propanoate (CID 82851561) is ethyl 2-(5-aminohexanoylamino)propanoate.
What is the SMILES notation for ethyl 2-(5-aminohexanoylamino)propanoate?
The canonical SMILES for ethyl 2-(5-aminohexanoylamino)propanoate is CCOC(=O)C(C)NC(=O)CCCC(C)N.
What is the InChIKey of ethyl 2-(5-aminohexanoylamino)propanoate?
The InChIKey is YYHHUBQQALGPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-16-11(15)9(3)13-10(14)7-5-6-8(2)12/h8-9H,4-7,12H2,1-3H3,(H,13,14).
What are the key properties of ethyl 2-(5-aminohexanoylamino)propanoate?
ethyl 2-(5-aminohexanoylamino)propanoate has a molecular weight of 230.31 g/mol, XLogP of 0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-aminohexanoylamino)propanoate is sourced from PubChem (CID 82851561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).