2-amino-N-(9-amino-8-oxodecyl)propanamide

C13H27N3O2 — CID 159969834

IUPAC2-amino-N-(9-amino-8-oxodecyl)propanamide
SMILESCC(N)C(=O)CCCCCCCNC(=O)C(C)N
InChIInChI=1S/C13H27N3O2/c1-10(14)12(17)8-6-4-3-5-7-9-16-13(18)11(2)15/h10-11H,3-9,14-15H2,1-2H3,(H,16,18)
InChIKeyOMFWXHHARILZFP-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.71
Rot. Bonds10

About 2-amino-N-(9-amino-8-oxodecyl)propanamide

2-amino-N-(9-amino-8-oxodecyl)propanamide (PubChem CID 159969834) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-amino-N-(9-amino-8-oxodecyl)propanamide.

Molecular Properties

Compound Name2-amino-N-(9-amino-8-oxodecyl)propanamide
PubChem CID159969834
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name2-amino-N-(9-amino-8-oxodecyl)propanamide
SMILESCC(N)C(=O)CCCCCCCNC(=O)C(C)N
InChIInChI=1S/C13H27N3O2/c1-10(14)12(17)8-6-4-3-5-7-9-16-13(18)11(2)15/h10-11H,3-9,14-15H2,1-2H3,(H,16,18)
InChIKeyOMFWXHHARILZFP-UHFFFAOYSA-N
XLogP0.71
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-(2-aminopropanoylamino)hexanoate;hydrochloride
CID 119269481
2-amino-N-[2-[(5-amino-4-oxohexyl)disulfanyl]ethyl]propanamide
CID 162257220
(2R)-2-amino-N-(4-hydroxybutyl)propanamide
CID 106842086
2-methyl-N-(9-methyl-8-oxodecyl)propanamide
CID 167573684
(2S)-2-amino-N-butyl(113C)propanamide
CID 157365112
(2S)-2-amino-N-butylpropan(15N)amide
CID 158456310
5-(2-aminopropanoylamino)pentanoic acid;2,2,2-trifluoroacetic acid
CID 139022815
(2S)-2-amino-N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]propanamide;dihydrochloride
CID 18651575
(8S)-8-amino-7-oxononanoic acid chloride
CID 91885982
(2S)-2-amino-N-[8-[[(2S)-2-amino-3-methylbutanoyl]amino]octyl]-3-methylbutanamide
CID 101248769
7-methyl-N-[7-[(7-methyl-6-oxooctanoyl)amino]heptyl]-6-oxooctanamide
CID 170246304
(2R)-2-amino-N-(3-methylsulfanylpropyl)propanamide
CID 63957568

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(9-amino-8-oxodecyl)propanamide?
The IUPAC name of 2-amino-N-(9-amino-8-oxodecyl)propanamide (CID 159969834) is 2-amino-N-(9-amino-8-oxodecyl)propanamide.
What is the SMILES notation for 2-amino-N-(9-amino-8-oxodecyl)propanamide?
The canonical SMILES for 2-amino-N-(9-amino-8-oxodecyl)propanamide is CC(N)C(=O)CCCCCCCNC(=O)C(C)N.
What is the InChIKey of 2-amino-N-(9-amino-8-oxodecyl)propanamide?
The InChIKey is OMFWXHHARILZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-10(14)12(17)8-6-4-3-5-7-9-16-13(18)11(2)15/h10-11H,3-9,14-15H2,1-2H3,(H,16,18).
What are the key properties of 2-amino-N-(9-amino-8-oxodecyl)propanamide?
2-amino-N-(9-amino-8-oxodecyl)propanamide has a molecular weight of 257.38 g/mol, XLogP of 0.71, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(9-amino-8-oxodecyl)propanamide is sourced from PubChem (CID 159969834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).