methyl 6-(2-aminopropanoylamino)hexanoate;hydrochloride

C10H21ClN2O3 — CID 119269481

IUPACmethyl 6-(2-aminopropanoylamino)hexanoate;hydrochloride
SMILESCOC(=O)CCCCCNC(=O)C(C)N.Cl
InChIInChI=1S/C10H20N2O3.ClH/c1-8(11)10(14)12-7-5-3-4-6-9(13)15-2;/h8H,3-7,11H2,1-2H3,(H,12,14);1H
InChIKeyRKXMGCLGICNOKK-UHFFFAOYSA-N
MW252.74 g/mol
LogP0.61
Rot. Bonds7

About methyl 6-(2-aminopropanoylamino)hexanoate;hydrochloride

methyl 6-(2-aminopropanoylamino)hexanoate;hydrochloride (PubChem CID 119269481) has the molecular formula C10H21ClN2O3 and a molecular weight of 252.74 g/mol. Its IUPAC name is methyl 6-(2-aminopropanoylamino)hexanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 6-(2-aminopropanoylamino)hexanoate;hydrochloride
PubChem CID119269481
Molecular FormulaC10H21ClN2O3
Molecular Weight252.74 g/mol
Exact Mass252.12
IUPAC Namemethyl 6-(2-aminopropanoylamino)hexanoate;hydrochloride
SMILESCOC(=O)CCCCCNC(=O)C(C)N.Cl
InChIInChI=1S/C10H20N2O3.ClH/c1-8(11)10(14)12-7-5-3-4-6-9(13)15-2;/h8H,3-7,11H2,1-2H3,(H,12,14);1H
InChIKeyRKXMGCLGICNOKK-UHFFFAOYSA-N
XLogP0.61
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(9-amino-8-oxodecyl)propanamide
CID 159969834
methyl 10-[(2-amino-3-sulfanylpropanoyl)amino]decanoate
CID 123593299
methyl 6-[[2-methyl-3-(methylamino)propanoyl]amino]hexanoate
CID 119686226
methyl 14-[(2-amino-4-sulfanylbutanoyl)amino]tetradecanoate
CID 123416105
methyl 6-(2-acetamidopropanoylamino)hexanoate
CID 43404542
methyl 4-[(2-amino-3-methoxypropanoyl)amino]butanoate
CID 81089164
methyl 6-[[6-[[6-[[6-[(6-methoxy-6-oxohexyl)amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexanoate
CID 71625530
(2S)-2-amino-N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]propanamide;dihydrochloride
CID 18651575
methyl 6-[(3-amino-2-methyl-3-phenylpropanoyl)amino]hexanoate
CID 119686216
dimethyl dotriacontanedioate
CID 14325565
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl tricosanedioate
CID 12632762

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2-aminopropanoylamino)hexanoate;hydrochloride?
The IUPAC name of methyl 6-(2-aminopropanoylamino)hexanoate;hydrochloride (CID 119269481) is methyl 6-(2-aminopropanoylamino)hexanoate;hydrochloride.
What is the SMILES notation for methyl 6-(2-aminopropanoylamino)hexanoate;hydrochloride?
The canonical SMILES for methyl 6-(2-aminopropanoylamino)hexanoate;hydrochloride is COC(=O)CCCCCNC(=O)C(C)N.Cl.
What is the InChIKey of methyl 6-(2-aminopropanoylamino)hexanoate;hydrochloride?
The InChIKey is RKXMGCLGICNOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3.ClH/c1-8(11)10(14)12-7-5-3-4-6-9(13)15-2;/h8H,3-7,11H2,1-2H3,(H,12,14);1H.
What are the key properties of methyl 6-(2-aminopropanoylamino)hexanoate;hydrochloride?
methyl 6-(2-aminopropanoylamino)hexanoate;hydrochloride has a molecular weight of 252.74 g/mol, XLogP of 0.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2-aminopropanoylamino)hexanoate;hydrochloride is sourced from PubChem (CID 119269481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).