methyl 3-[(2-aminoacetyl)amino]-3-ethylpentanoate;hydrochloride

C10H21ClN2O3 — CID 119344212

IUPACmethyl 3-[(2-aminoacetyl)amino]-3-ethylpentanoate;hydrochloride
SMILESCCC(CC)(CC(=O)OC)NC(=O)CN.Cl
InChIInChI=1S/C10H20N2O3.ClH/c1-4-10(5-2,6-9(14)15-3)12-8(13)7-11;/h4-7,11H2,1-3H3,(H,12,13);1H
InChIKeyIHASGUHBAMLPHW-UHFFFAOYSA-N
MW252.74 g/mol
LogP0.61
Rot. Bonds6

About methyl 3-[(2-aminoacetyl)amino]-3-ethylpentanoate;hydrochloride

methyl 3-[(2-aminoacetyl)amino]-3-ethylpentanoate;hydrochloride (PubChem CID 119344212) has the molecular formula C10H21ClN2O3 and a molecular weight of 252.74 g/mol. Its IUPAC name is methyl 3-[(2-aminoacetyl)amino]-3-ethylpentanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-[(2-aminoacetyl)amino]-3-ethylpentanoate;hydrochloride
PubChem CID119344212
Molecular FormulaC10H21ClN2O3
Molecular Weight252.74 g/mol
Exact Mass252.12
IUPAC Namemethyl 3-[(2-aminoacetyl)amino]-3-ethylpentanoate;hydrochloride
SMILESCCC(CC)(CC(=O)OC)NC(=O)CN.Cl
InChIInChI=1S/C10H20N2O3.ClH/c1-4-10(5-2,6-9(14)15-3)12-8(13)7-11;/h4-7,11H2,1-3H3,(H,12,13);1H
InChIKeyIHASGUHBAMLPHW-UHFFFAOYSA-N
XLogP0.61
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

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Related Compounds

methyl 3-[(2-aminoacetyl)amino]-3-ethylpentanoate
CID 119344213
methyl 3-(3-aminopropanoylamino)-3-ethylpentanoate;hydrochloride
CID 119344210
methyl 3-(4-aminobutanoylamino)-3-ethylpentanoate;hydrochloride
CID 119344222
methyl 3-[(2-aminoacetyl)amino]-4-methoxy-3-methylbutanoate
CID 119344189
methyl 3-[[4-(aminomethyl)benzoyl]amino]-3-ethylpentanoate
CID 119344217
methyl 2-[(2-aminoacetyl)amino]acetate;hydrochloride
CID 13029724
methyl 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-ethylpentanoate
CID 119819819
methyl 3-ethyl-3-(piperidine-4-carbonylamino)pentanoate;hydrochloride
CID 119344214
[2-[(2-aminoacetyl)amino]-3-[2-(methylamino)acetyl]oxy-2-[[2-(methylamino)acetyl]oxymethyl]propyl] 2-(methylamino)acetate
CID 121432211
N-[3-(aminomethyl)pentan-3-yl]-5-methoxypentanamide;hydrochloride
CID 119570681
methyl 3,3-dimethylpentanoate
CID 3757207
N-[3-(aminomethyl)pentan-3-yl]-3-methylsulfanylpropanamide;hydrochloride
CID 119571336

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-aminoacetyl)amino]-3-ethylpentanoate;hydrochloride?
The IUPAC name of methyl 3-[(2-aminoacetyl)amino]-3-ethylpentanoate;hydrochloride (CID 119344212) is methyl 3-[(2-aminoacetyl)amino]-3-ethylpentanoate;hydrochloride.
What is the SMILES notation for methyl 3-[(2-aminoacetyl)amino]-3-ethylpentanoate;hydrochloride?
The canonical SMILES for methyl 3-[(2-aminoacetyl)amino]-3-ethylpentanoate;hydrochloride is CCC(CC)(CC(=O)OC)NC(=O)CN.Cl.
What is the InChIKey of methyl 3-[(2-aminoacetyl)amino]-3-ethylpentanoate;hydrochloride?
The InChIKey is IHASGUHBAMLPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3.ClH/c1-4-10(5-2,6-9(14)15-3)12-8(13)7-11;/h4-7,11H2,1-3H3,(H,12,13);1H.
What are the key properties of methyl 3-[(2-aminoacetyl)amino]-3-ethylpentanoate;hydrochloride?
methyl 3-[(2-aminoacetyl)amino]-3-ethylpentanoate;hydrochloride has a molecular weight of 252.74 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-aminoacetyl)amino]-3-ethylpentanoate;hydrochloride is sourced from PubChem (CID 119344212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).